SCHEMBL2954499

SCHEMBL2954499

Cn1cc(Br)c(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
ALDH1A1 P00352 6/20 0.59
GAA P10253 1/20 0.57
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.45
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
RORC P51449 1/20 0.44
POLB P06746 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
SCHEMBL2949951 0.81 L3MBTL1 (0.64) L3MBTL1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2954162 0.81 ALDH1A1 (0.59) L3MBTL1ALDH1A1LMNAMAPTHTT
SCHEMBL6587743 0.81 GAA (0.57) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL6198851 0.81 GAA (0.57) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL2950673 0.80 L3MBTL1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1LMNA
SCHEMBL2960652 0.77 L3MBTL1 (0.64) L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL13240036 0.77 L3MBTL1 (0.68) L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL27572656 0.77 L3MBTL1 (0.55) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL6587745 0.76 KMT2A (0.56) L3MBTL1ALDH1A1GAAKMT2AMEN1
SCHEMBL2958471 0.76 L3MBTL1 (0.62) L3MBTL1ALDH1A1KMT2AMEN1LMNA

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 11 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
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-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 3499/4885GAA 4161/4885
US-20030153004-A1 Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof HTR2A, HTR3B, HTR6 L3MBTL1 4246/4885ALDH1A1 3459/4885GAA 4232/4885
US-20030224442-A1 Non-endogeneous, constitutively activated human serotonin receptors and small molecule modualtors thereof HTR2A, HTR5A, HTR1A L3MBTL1 2801/4885ALDH1A1 3419/4885GAA 4138/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A L3MBTL1 4160/4885ALDH1A1 3499/4885GAA 4161/4885

“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.