SCHEMBL14739612

SCHEMBL14739612

FC(F)(F)c1ccc(C=Cc2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
AHR P35869 1/20 0.38
ERBB2 P04626 1/20 0.35
RHEB Q15382 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GRM5 P41594 1/20 0.35
S1PR4 O95977 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
S1PR1 P21453 1/20 0.35
ATM Q13315 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL14739611 1.00 CNR1 (0.39) CNR1AHRERBB2RHEBKDM4E
SCHEMBL7708601 0.78 RHEB (0.37) RHEBKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL7711945 0.77 RHEB (0.41) RHEBKDM4EALDH1A1MAPTCYP1A2
SCHEMBL14753472 0.73 SLC6A4 (0.35) RHEBKDM4EALDH1A1MAPTCYP1A2
SCHEMBL7705773 0.72 ALDH1A1 (0.44) RHEBKDM4EALDH1A1GRM5CYP1A2
SCHEMBL7711065 0.69 CDK1 (0.45) RHEBKDM4EALDH1A1MAPTCYP1A2
SCHEMBL14738981 0.68 RHEB (0.41) RHEBKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL14740522 0.68 GRM5 (0.48) RHEBKDM4EALDH1A1GRM5LMNA
SCHEMBL7708616 0.68 ALK (0.43) AHRRHEBKDM4EALDH1A1GAA
SCHEMBL2594688 0.67 SLC6A4 (0.43) RHEBALDH1A1

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 1 patent. 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

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 CNR1 17/4885AHR 37/4885ERBB2 4039/4885

“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.