SCHEMBL2956291

SCHEMBL2956291

Cn1cc(Br)c(-c2cccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)c2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.67
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
EPHX2 P34913 3/20 0.50
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
CASP3 P42574 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDR P35968 1/20 0.48
IDH1 O75874 1/20 0.46
BRAF P15056 2/20 0.45
HSPA9 P38646 2/20 0.45
ABL1 P00519 1/20 0.44
HTR2C P28335 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2959406 0.89 NPC1 (0.56) HTR2AALDH1A1L3MBTL1MAPTNPC1
SCHEMBL7153301 0.89 HTR2A (0.54) HTR2AALDH1A1L3MBTL1EPHX2NPC1
SCHEMBL27571248 0.87 ALDH1A1 (0.58) HTR2AALDH1A1L3MBTL1EPHX2MEN1
SCHEMBL2954162 0.87 ALDH1A1 (0.59) HTR2AALDH1A1L3MBTL1EPHX2MAPT
SCHEMBL2952936 0.86 ALDH1A1 (0.52) HTR2AALDH1A1L3MBTL1TP53MAPT
SCHEMBL27578945 0.85 ALDH1A1 (0.53) HTR2AALDH1A1L3MBTL1HTTRAB9A
SCHEMBL7162963 0.85 L3MBTL1 (0.61) HTR2AALDH1A1L3MBTL1MAPTKDR
SCHEMBL2958803 0.84 HTR2A (0.64) HTR2AALDH1A1L3MBTL1TP53MAPT
SCHEMBL27571241 0.84 ALDH1A1 (0.56) HTR2AALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2958805 0.83 ALDH1A1 (0.62) HTR2AALDH1A1L3MBTL1MEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP claimed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP claimed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US claimed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO claimed
US-10704076-B2 Multi-tiered high through-put screen for compounds effective against bacterial biofilm and compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2020-07-07 US disclosed
US-10704076-B2 Multi-tiered high through-put screen for compounds effective against bacterial biofilm and compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2020-07-07 US disclosed
US-20190127776-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2019-05-02 US disclosed
US-20190127776-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2019-05-02 US disclosed
US-10202631-B2 Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2019-02-12 US disclosed
US-10202631-B2 Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm UNIVERSITY OF CINCINNATI (US) 2019-02-12 US disclosed
US-20160024551-A1 MULTI-TIERED, HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2016-01-28 US disclosed
WO-2014152895-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM UNIVERSITY OF CINCINNATI (US) 2014-09-25 WO disclosed
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-6541209-B1 Bioassay; identification of compounds as agonists; use in treatment of diseases and disorders that are related to 5-HT2A and or 5-HT2C serotonin receptors ARENA PHARMACEUTICALS, INC. 2003-04-01 US disclosed
US-6420541-B1 MEMBRANE PROTEIN FOR USE IN TREATING PSYCHOLOGICAL, NERVOUS SYSTEM, EATING AND SEXUAL DISORDERS ARENA PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
US-6150393-A N-(3-(4-BROMO-1-METHYLPYRAZOL-3-YL)PHENYL)(PHENYLMETHYLAMINO) -CARBOXAMIDE MODIFIER OF ACTIVITY OF THE SEROTONIN 5-HT 2A; CNS, GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION ARENA PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 US disclosed
US-6107324-A CONTROLLING SEROTONIN ARENA PHARMACEUTICALS INC. (US) 2000-08-22 US disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160024551-A1 MULTI-TIERED, HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM PGLS, GLO1, FDPS HTR2A 3480/4885ALDH1A1 453/4885L3MBTL1 247/4885
US-20190127776-A1 MULTI-TIERED HIGH THROUGH-PUT SCREEN FOR COMPOUNDS EFFECTIVE AGAINST BACTERIAL BIOFILM AND COMPOUNDS EFFECTIVE FOR INHIBITING AND ERADICATING BACTERIAL BIOFILM ABCG2, TOE1, TFPI HTR2A 3488/4885ALDH1A1 204/4885L3MBTL1 164/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 HTR2A 1/4885ALDH1A1 3459/4885L3MBTL1 4246/4885
US-10202631-B2 Multi-tiered, high through-put screen for compounds effective against bacterial biofilm compounds effective for inhibiting and eradicating bacterial biofilm PGLS, GLO1, FDPS HTR2A 3480/4885ALDH1A1 453/4885L3MBTL1 247/4885
US-10704076-B2 Multi-tiered high through-put screen for compounds effective against bacterial biofilm and compounds effective for inhibiting and eradicating bacterial biofilm ABCG2, TOE1, TFPI HTR2A 3488/4885ALDH1A1 204/4885L3MBTL1 164/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.