SCHEMBL11066262

SCHEMBL11066262

Cc1ccc(C#N)c(-c2cccs2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 10/20 0.46
HPGD P15428 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
PRNP P04156 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43

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
SCHEMBL2529427 0.77 ALDH1A1 (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL14414582 0.77 ALDH1A1 (0.41) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL2980649 0.75 CYP1A2 (0.49) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15165636 0.74 MAPT (0.57) MAPTCYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL3291066 0.73 CYP11B1 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15832003 0.73 ADORA1 (0.51) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25510512 0.72 RPS6KB2 (0.41) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6440667 0.72 ADORA2A (0.59) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6251736 0.71 MAPT (0.66) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3089787 0.71 ADORA2A (0.53) MAPTKDM4EALDH1A1HPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-4439433-A CEPHALOSPORIN ANTIBIOTICS ROUSSEL UCLAF (FR) 1984-03-27 US 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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 MAPT 4129/4885CYP1A2 1857/4885CYP3A4 975/4885

“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.