SCHEMBL4859619

SCHEMBL4859619

COc1ccc(CNC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 3/20 0.52
RXFP1 Q9HBX9 1/20 0.49
ROCK2 O75116 1/20 0.49
QPCT Q16769 2/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
FBP1 P09467 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
SCHEMBL6490218 0.91 L3MBTL1 (0.54) SMN1; SMN2LMNAL3MBTL1ALDH1A1RXFP1
SCHEMBL2949934 0.89 NPC1 (0.60) SMN1; SMN2L3MBTL1ALDH1A1ROCK2MEN1
SCHEMBL2950542 0.85 L3MBTL1 (0.63) SMN1; SMN2LMNAL3MBTL1ALDH1A1ROCK2
SCHEMBL2955962 0.85 MAPT (0.50) SMN1; SMN2LMNAL3MBTL1ALDH1A1GAA
SCHEMBL2960922 0.85 L3MBTL1 (0.57) SMN1; SMN2LMNAL3MBTL1ALDH1A1GAA
SCHEMBL7153301 0.82 HTR2A (0.54) L3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL6586589 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAL3MBTL1ALDH1A1RXFP1
SCHEMBL2960343 0.81 FPR2 (0.56) SMN1; SMN2LMNAL3MBTL1ALDH1A1ROCK2
SCHEMBL27589543 0.80 L3MBTL1 (0.56) SMN1; SMN2L3MBTL1ALDH1A1GAAMEN1
SCHEMBL6160579 0.79 BRD4 (0.49) L3MBTL1RXFP1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-6140509-A Non-endogenous, constitutively activated human serotonin receptors and small molecule modulators thereof ARENA PHARMACEUTICALS, INC. (US) 2000-10-31 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 (1 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 SMN1; SMN2 4539/4885LMNA 4266/4885L3MBTL1 4160/4885

“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.