SCHEMBL16136346

SCHEMBL16136346

CCC(=O)NCCc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.55
POLB P06746 2/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 6/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALOX15 P16050 2/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL17481133 0.86 HPGD (0.69) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL17050824 0.86 SMN1; SMN2 (0.57) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL15195531 0.86 HPGD (0.60) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL18381451 0.84 SMN1; SMN2 (0.53) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL16133681 0.82 SMN1; SMN2 (0.53) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL17500055 0.82 HTT (0.71) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL7090395 0.82 ALDH1A1 (0.61) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL18381211 0.81 SLC13A5 (0.56) HPGDPOLBATMSMN1; SMN2ALDH1A1
SCHEMBL20964588 0.80 NPC1 (0.59) HPGDPOLBSMN1; SMN2ALDH1A1MAPT
SCHEMBL12210166 0.78 HPGD (0.59) HPGDPOLBATMSMN1; SMN2ALDH1A1

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 5 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 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 (3 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 HPGD 374/4885POLB 3322/4885ATM 3508/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HPGD 374/4885POLB 3322/4885ATM 3508/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HPGD 374/4885POLB 3322/4885ATM 3508/4885

“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.