SCHEMBL16136331

SCHEMBL16136331

CC(=O)NCc1nccn1Cc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
HSP90AA1 P07900 2/20 0.51
HSP90B1 P14625 2/20 0.51
TP53 P04637 3/20 0.47
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.43
ADRA2C P18825 1/20 0.42
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41

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
SCHEMBL16136364 0.89 HSP90B1 (0.52) SMN1; SMN2HSP90AA1HSP90B1LMNA
SCHEMBL16136367 0.88 HTT (0.40) SMN1; SMN2HSP90AA1HSP90B1LMNAADRA2C
SCHEMBL16136363 0.88 LMNA (0.51) HSP90AA1HSP90B1TP53LMNAAGTR1
SCHEMBL16064990 0.87 HSP90B1 (0.54) SMN1; SMN2NPC1RAB9AHSP90AA1HSP90B1
SCHEMBL16136298 0.86 HSP90B1 (0.55) SMN1; SMN2NPC1RAB9AHSP90AA1HSP90B1
SCHEMBL16133635 0.86 HSP90AA1 (0.48) SMN1; SMN2NPC1RAB9AHSP90AA1HSP90B1
SCHEMBL16136235 0.81 BRD4 (0.47) HSP90AA1HSP90B1TP53LMNAMAPT
SCHEMBL16136366 0.81 HSP90AA1 (0.53) SMN1; SMN2HSP90AA1HSP90B1TP53LMNA
SCHEMBL16136339 0.78 HSP90AA1 (0.54) SMN1; SMN2NPC1RAB9AHSP90AA1HSP90B1
SCHEMBL16136301 0.77 HSP90AA1 (0.51) SMN1; SMN2NPC1RAB9AHSP90AA1HSP90B1

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 SMN1; SMN2 4624/4885NPC1 197/4885RAB9A 2187/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 SMN1; SMN2 4624/4885NPC1 197/4885RAB9A 2187/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 SMN1; SMN2 4624/4885NPC1 197/4885RAB9A 2187/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 SMN1; SMN2 4624/4885NPC1 197/4885RAB9A 2187/4885

“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.