SCHEMBL7712958

SCHEMBL7712958

Clc1ccc(Sc2c(-c3ccsc3)[nH]c3ncccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TUBB4A P04350 3/20 0.37
TUBB P07437 3/20 0.37
TUBA3C P0DPH7 3/20 0.37
TUBA1B P68363 3/20 0.37
TUBA4A P68366 3/20 0.37
TUBB4B P68371 3/20 0.37
TUBB3 Q13509 3/20 0.37
TUBB2A Q13885 3/20 0.37
TUBB8 Q3ZCM7 3/20 0.37
TUBA3E Q6PEY2 3/20 0.37
TUBA1A Q71U36 3/20 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
SCHEMBL7704641 0.81 GSK3B (0.43) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7705212 0.81 CYP19A1 (0.44) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7714695 0.81 KDM4E (0.45) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7708616 0.81 ALK (0.43) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7711208 0.80 ALDH1A1 (0.46) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14739508 0.79 KDM4E (0.45) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7714731 0.79 TUBB4A (0.47) ALDH1A1KDM4ETUBB4ATUBBTUBA3C
SCHEMBL7711531 0.79 RIPK1 (0.43) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL14740522 0.79 GRM5 (0.48) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL7705773 0.78 ALDH1A1 (0.44) RHEBCYP3A4CYP2C9CYP2C19ALDH1A1

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 3 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
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 2785/4885CYP3A4 769/4885CYP2C9 869/4885

“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.