SCHEMBL16136378

SCHEMBL16136378

CC(=O)NCc1c[nH]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
ALOX15 P16050 1/20 0.41
VHL P40337 1/20 0.38
KMT2A Q03164 2/20 0.37
QPCT Q16769 1/20 0.37
QPCTL Q9NXS2 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 1/20 0.35
ELANE P08246 1/20 0.35
NOTUM Q6P988 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MTNR1A P48039 1/20 0.34
MEN1 O00255 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
SCHEMBL20501735 0.83 SMN1; SMN2 (0.34) NPSR1ALOX15KMT2AALDH1A1RAB9A
SCHEMBL514228 0.82 QPCT (0.49) NPSR1KMT2AQPCTQPCTLMAPT
SCHEMBL19347394 0.82 HSD17B10 (0.34) NPSR1ALOX15KMT2AALDH1A1RAB9A
SCHEMBL18281971 0.81 SMN1; SMN2 (0.33) NPSR1SMN1; SMN2
SCHEMBL16133692 0.81 MAPT (0.40) HDAC6MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL19347392 0.78 EPHX1 (0.36) KMT2AMAPTALDH1A1NPC1POLB
SCHEMBL25836666 0.78 L3MBTL1 (0.49) NPSR1KMT2AMAPTALDH1A1KDM4E
SCHEMBL22455533 0.78 RAB9A (0.39) KMT2AMAPTALDH1A1RAB9ANPC1
SCHEMBL6603660 0.77 SMN1; SMN2 (0.37) KMT2AALDH1A1POLBMTNR1AMEN1
SCHEMBL24306043 0.77 RIPK1 (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023121939-A1 SUBSTITUTED BENZOTHIOPHENE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-06-29 WO disclosed
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 2400/4885ALOX15 1110/4885VHL 6/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885ALOX15 1110/4885VHL 6/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885ALOX15 1110/4885VHL 6/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 NPSR1 2400/4885ALOX15 1110/4885VHL 6/4885

“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.