SCHEMBL2949934

SCHEMBL2949934

COc1ccc(CNC(=O)Nc2cccc(-c3nn(C)cc3Br)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ROCK2 O75116 1/20 0.46
NAMPT P43490 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL2960343 0.91 FPR2 (0.56) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2950542 0.89 L3MBTL1 (0.63) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL7153301 0.89 HTR2A (0.54) NPC1RAB9AL3MBTL1ALDH1A1NAMPT
SCHEMBL4859619 0.89 SMN1; SMN2 (0.56) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2960922 0.88 L3MBTL1 (0.57) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6490218 0.87 L3MBTL1 (0.54) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2949709 0.83 L3MBTL1 (0.58) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6585359 0.81 NPC1 (0.61) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL2956954 0.80 L3MBTL1 (0.57) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28750818 0.80 L3MBTL1 (0.56) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2

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 7 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
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-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 (2 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 NPC1 4146/4885RAB9A 2212/4885L3MBTL1 4160/4885
US-20090076254-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF HTR2A, HTR3B, HTR3A NPC1 4146/4885RAB9A 2212/4885L3MBTL1 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.