SCHEMBL2953469

SCHEMBL2953469

CN(C)c1ccc(NC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.59
ALDH1A1 P00352 2/20 0.57
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
MAPT P10636 2/20 0.55
MEN1 O00255 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
KMT2A Q03164 1/20 0.55
RELA Q04206 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
CNR1 P21554 6/20 0.52
HTR2A P28223 3/20 0.50
BAZ1A Q9NRL2 1/20 0.48
PNPLA2 Q96AD5 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL2958803 0.88 HTR2A (0.64) L3MBTL1ALDH1A1MAPTTP53CNR1
SCHEMBL7162963 0.87 L3MBTL1 (0.61) L3MBTL1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6480183 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1NPC1MAPTPNPLA2
SCHEMBL2961055 0.85 L3MBTL1 (0.59) L3MBTL1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL2958805 0.85 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL27589523 0.84 L3MBTL1 (0.63) L3MBTL1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL2949815 0.84 L3MBTL1 (0.65) L3MBTL1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL27571246 0.84 L3MBTL1 (0.58) L3MBTL1ALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL27571248 0.84 ALDH1A1 (0.58) L3MBTL1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL27571244 0.83 L3MBTL1 (0.59) L3MBTL1ALDH1A1LMNASMN1; SMN2NPC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754866-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2010-07-13 US disclosed
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS INC. 2009-03-19 US disclosed
US-7368539-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2008-05-06 US disclosed
US-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-06-02 US disclosed
US-6846919-B2 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof BEHAN DOMINIC P (US) 2003-12-04 US disclosed
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. 2003-08-14 US disclosed
CN-1411448-A Pyrazole derivatives which modulate human 5-serotonin receptors ARENA PHARM INC (US) 2003-04-16 CN 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
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

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

For each of this compound's patents that has machine-readable text (4 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-20050119182-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885LMNA 4266/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 L3MBTL1 4246/4885ALDH1A1 3459/4885LMNA 4447/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A L3MBTL1 2801/4885ALDH1A1 3419/4885LMNA 4315/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885LMNA 4266/4885

“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.