SCHEMBL7711945

SCHEMBL7711945

O=Cc1[nH]c2ncccc2c1Sc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 4/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NOD2 Q9HC29 1/20 0.37
AURKA O14965 1/20 0.37
PARP1 P09874 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL7705773 0.81 ALDH1A1 (0.44) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7708601 0.80 RHEB (0.37) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL2594688 0.78 SLC6A4 (0.43) RHEBALDH1A1SLC6A4PTGDR2
SCHEMBL14739612 0.77 CNR1 (0.39) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14753472 0.77 SLC6A4 (0.35) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14739611 0.77 CNR1 (0.39) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7709889 0.77 MAPK13 (0.38) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14740522 0.76 GRM5 (0.48) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14738981 0.76 RHEB (0.41) RHEBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL2595477 0.75 TUBB4A (0.54) ALDH1A1KMT2AMEN1

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 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
CN-102917707-A Azaindole derivatives useful as modulators of FAAH MERCK SHARP & DOHME 2013-02-06 CN 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 RHEB 2785/4885ALDH1A1 1530/4885KDM4E 307/4885

“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.