SCHEMBL7711547

SCHEMBL7711547

Clc1ccc(Sc2c(-c3ccc4c(c3)OCCO4)[nH]c3ncccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
KCNH2 Q12809 1/20 0.54
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
RHEB Q15382 1/20 0.38
ALOX5 P09917 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
POLB P06746 1/20 0.37
TERT O14746 1/20 0.37
PTGIR P43119 1/20 0.36

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
SCHEMBL14739766 0.94 FAAH (0.47) FAAHKCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL14753464 0.87 FAAH (0.44) FAAHKCNH2CYP11B1CYP11B2CYP2C9
SCHEMBL14739327 0.81 CLK4 (0.40) FAAHKCNH2CYP2C9CYP2C19CYP1A2
SCHEMBL7713724 0.79 RAB9A (0.54) MAPTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL7704641 0.78 GSK3B (0.43) CYP2C9CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL7714695 0.78 KDM4E (0.45) CYP2C9CYP2C19CYP1A2CYP3A4MAPT
SCHEMBL7705212 0.78 CYP19A1 (0.44) CYP2C9CYP2C19CYP1A2CYP3A4GAA
SCHEMBL7716018 0.77 TUBB4A (0.50) GAAPOLBGSK3BSMN1; SMN2
SCHEMBL14738358 0.76 FAAH (0.45) FAAHKCNH2CYP11B1CYP11B2CYP2C9
SCHEMBL14753457 0.76 TBK1 (0.44) MAPTRHEBCLK4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US claimed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
US-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2013-03-07 US disclosed
WO-2011140164-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH MERCK SHARP & DOHME CORP. (US) 2011-11-10 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-20130059850-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH FAAH, FAAH2, IDO1 FAAH 1/4885KCNH2 1359/4885CYP11B1 2055/4885

“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.