SCHEMBL7705773

SCHEMBL7705773

Clc1ccc(Sc2c(Br)[nH]c3ncccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
RHEB Q15382 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AXL P30530 1/20 0.38
AURKA O14965 1/20 0.37
PARP1 P09874 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GRM5 P41594 1/20 0.37
NAMPT P43490 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
SCHEMBL14739411 0.82 AXL (0.36) ALDH1A1RHEBL3MBTL1MEN1KMT2A
SCHEMBL7713628 0.82 AXL (0.36) ALDH1A1RHEBAXLAURKAPARP1
SCHEMBL14740522 0.81 GRM5 (0.48) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7711945 0.81 RHEB (0.41) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL14738981 0.81 RHEB (0.41) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL2594688 0.80 SLC6A4 (0.43) ALDH1A1RHEBSLC6A4PTGDR2
SCHEMBL7704641 0.79 GSK3B (0.43) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7705212 0.79 CYP19A1 (0.44) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7714695 0.79 KDM4E (0.45) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7708616 0.78 ALK (0.43) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9

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
EP-2566481-A1 AZA-INDOLE DERIVATIVES USEFUL AS MODULATORS OF FAAH Merck Sharp & Dohme Corp. (US) 2013-03-13 EP 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
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 ALDH1A1 1530/4885KDM4E 307/4885CYP1A2 598/4885

“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.