SCHEMBL15832020

SCHEMBL15832020

COc1ccc(-c2nc(C)ccc2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ADORA1 P30542 3/20 0.53
HPGD P15428 3/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ADORA2A P29274 1/20 0.48
CDK1 P06493 1/20 0.47
KDR P35968 1/20 0.47
THRB P10828 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL16879764 0.83 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2AADORA1
SCHEMBL15832018 0.82 ADORA2A (0.42) ALDH1A1KDM4EMEN1KMT2AADORA1
SCHEMBL15832017 0.80 KDM4E (0.48) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL15832006 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL15832007 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AADORA1
SCHEMBL15832003 0.80 ADORA1 (0.51) ALDH1A1KDM4EADORA1HPGDMAPT
SCHEMBL2528908 0.79 PGR (0.56) ALDH1A1KDM4EMEN1KMT2AADORA1
SCHEMBL15832008 0.77 KIF11 (0.47) ALDH1A1KDM4EKMT2ANPC1RAB9A
SCHEMBL28123958 0.76 KIF11 (0.46) CYP11B1CYP11B2ARCNR1
SCHEMBL4037256 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDTDP1L3MBTL1

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-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 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 ALDH1A1 2444/4885KDM4E 4191/4885MEN1 4313/4885

“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.