SCHEMBL3979810

SCHEMBL3979810

Fc1ccc(OCc2ncc[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.43
APP P05067 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
DAO P14920 1/20 0.41
TRPA1 O75762 1/20 0.40
PDE10A Q9Y233 1/20 0.39
NR4A2 P43354 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL8112160 0.82 TAAR1 (0.41) TAAR1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16313542 0.82 NPC1 (0.53) TAAR1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL11779657 0.81 TAAR1 (0.56) MAOBTAAR1DAONPC1RAB9A
SCHEMBL11760748 0.81 MAOB (0.47) MAOBTAAR1
SCHEMBL8684911 0.81 CYP1A2 (0.45) RAB9AKMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8635977 0.80 LTA4H (0.44) TRPA1RAB9AKMT2ACYP1A2CYP3A4
SCHEMBL11760408 0.79 MAOB (0.49) MAOBTAAR1RAB9AKMT2ASMN1; SMN2
SCHEMBL7508077 0.79 TAAR1 (0.42) MAOBAPPTAAR1NPC1RAB9A
SCHEMBL5758318 0.79 TAAR1 (0.41) TAAR1NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL11759137 0.78 CYP1A2 (0.39) MAOBTAAR1NPC1RAB9AKMT2A

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-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 EP disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 WO 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 MAOB 1532/4885APP 4455/4885TAAR1 3773/4885

“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.