SCHEMBL16136241

SCHEMBL16136241

CC(=O)NCc1[nH]cnc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
VHL P40337 1/20 0.40
QPCT Q16769 1/20 0.39
QPCTL Q9NXS2 1/20 0.39
MGMT P16455 1/20 0.38
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.36
GABRR1 P24046 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
SETDB1 Q15047 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ELANE P08246 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16064988 0.84 RECQL (0.39) HSD17B10KMT2ACYP2C19GABRR1ALDH1A1
SCHEMBL16064995 0.83 QPCT (0.51) NPSR1QPCTQPCTLHSD17B10KMT2A
SCHEMBL16136348 0.79 MGMT (0.39) NPSR1VHLQPCTQPCTLMGMT
SCHEMBL16136246 0.76 ALDH1A1 (0.44) NPSR1MGMTHSD17B10KMT2ACYP2C19
SCHEMBL24015852 0.75 GABRR1 (0.56) NPSR1VHLQPCTQPCTLKMT2A
SCHEMBL11041845 0.75
SCHEMBL16136333 0.74 KDM4E (0.44) NPSR1KMT2AALDH1A1MAPTKDM4E
Acetic Acid SCHEMBL11176330 0.74 HSD17B10 (0.42) HSD17B10KMT2ACYP2C19GABRR1ALDH1A1
SCHEMBL16136338 0.73 NPSR1 (0.42) NPSR1VHLALOX15HSD17B10KMT2A
SCHEMBL19935926 0.72 HRH4 (0.34) ALOX15HSD17B10KMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-11-10 US disclosed
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 US disclosed
US-9045477-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2015-06-02 US disclosed
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. (US) 2014-10-02 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 (4 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885VHL 6/4885QPCT 229/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885VHL 6/4885QPCT 229/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885VHL 6/4885QPCT 229/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885VHL 6/4885QPCT 229/4885

“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.