SCHEMBL15768806

SCHEMBL15768806

O=c1cc(CCc2ccc(Cl)cn2)cc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.43
DAO P14920 3/20 0.40
MAP4K4 O95819 2/20 0.40
BACE1 P56817 1/20 0.36
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PPARG P37231 1/20 0.34
RIN1 Q13671 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
PLA2G7 Q13093 1/20 0.34
KCNH2 Q12809 2/20 0.33
MAPT P10636 1/20 0.33
AOC3 Q16853 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PARP1 P09874 1/20 0.33
VNN1 O95497 1/20 0.32
ALDH2 P05091 1/20 0.32

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
SCHEMBL15769351 0.82 DAO (0.51) GPR84DAOBACE1NSD2ABL1
SCHEMBL15769681 0.76 DAO (0.39) DAOL3MBTL1KDM4E
SCHEMBL2953597 0.76 CYP1A2 (0.47) GPR84DAONSD2ABL1PPARG
SCHEMBL94424 0.75 NSD2 (0.52) DAOMAP4K4NSD2ABL1PPARG
SCHEMBL12885975 0.71 LMNA (0.49) L3MBTL1KCNH2ALDH1A1
SCHEMBL94269 0.70 MAP4K4 (0.55) MAP4K4KCNH2MAPTAOC3ALDH1A1
SCHEMBL9496925 0.70 GPR84 (0.47) GPR84BACE1NSD2ABL1PPARG
SCHEMBL1366587 0.69 L3MBTL1 (0.54) GPR84DAOBACE1NSD2ABL1
SCHEMBL20197036 0.68 HTR2A (0.40) L3MBTL1KCNH2AOC3KDM4EHTR2A
SCHEMBL12885959 0.68 RAB9A (0.47) L3MBTL1KCNH2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 GPR84 389/4885DAO 135/4885MAP4K4 3508/4885

“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.