SCHEMBL7711226

SCHEMBL7711226

NC1CC=C(c2[nH]c3ncccc3c2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 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
RHEB Q15382 1/20 0.35
RET P07949 4/20 0.35
KDR P35968 3/20 0.35
KIT P10721 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.32
SLC6A4 P31645 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
HSD11B1 P28845 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7716028 0.88 FAAH (0.41) CCNT1CDK9ALDH1A1KDM4ECYP1A2
SCHEMBL14753468 0.85 CCNT1 (0.40) CCNT1CDK9ALDH1A1KDM4ECYP1A2
SCHEMBL7712272 0.85 ESR2 (0.36) CCNT1CDK9ALDH1A1KDM4ECYP1A2
SCHEMBL7713677 0.84 CDK9 (0.44) CCNT1CDK9ALDH1A1SLC6A4PTGDR2
SCHEMBL14753467 0.81 RHEB (0.38) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL14753473 0.81 FFAR2 (0.39) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL7711528 0.80 CDK9 (0.41) CCNT1CDK9ALDH1A1SLC6A4PTGDR2
SCHEMBL7712724 0.79 CCNT1 (0.39) CCNT1CDK9ALDH1A1SLC6A4PTGDR2
SCHEMBL7712475 0.75 CCNT1 (0.35) CCNT1CDK9RETKDRPDK2
SCHEMBL7714366 0.74 RHEB (0.36) 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 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 CCNT1 2182/4885CDK9 977/4885ALDH1A1 1530/4885

“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.