SCHEMBL7707749

SCHEMBL7707749

Clc1ccc(Sc2c(CNCc3ccccc3)[nH]c3ncccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.39
NAMPT P43490 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RHEB Q15382 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
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
SCHEMBL14738981 0.82 RHEB (0.41) ALDH1A1CYP1A2NAMPTL3MBTL1RHEB
SCHEMBL7705194 0.78 RHEB (0.39) ALDH1A1CYP1A2NAMPTL3MBTL1RHEB
SCHEMBL7706342 0.77 RHEB (0.38) ALDH1A1CYP1A2NAMPTL3MBTL1RHEB
SCHEMBL14738857 0.76 OPRL1 (0.38) ALDH1A1CYP1A2RHEBKDM4ECYP3A4
SCHEMBL7705773 0.76 ALDH1A1 (0.44) ALDH1A1CYP1A2NAMPTL3MBTL1RHEB
SCHEMBL7707690 0.76 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2D6HTTPOLB
SCHEMBL7714858 0.75 SLC6A4 (0.37) ALDH1A1CYP1A2NAMPTL3MBTL1RHEB
SCHEMBL7711540 0.75 SLC6A4 (0.37) ALDH1A1CYP1A2NAMPTL3MBTL1RHEB
SCHEMBL7704670 0.75 CCNB2 (0.44) ALDH1A1CYP1A2L3MBTL1RHEBPOLB
SCHEMBL858496 0.75 CYP1A2 (0.46) ALDH1A1CYP1A2CYP2D6ALOX15HIF1A

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 4 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 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 1530/4885CYP1A2 598/4885NAMPT 636/4885

“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.