SCHEMBL16136369

SCHEMBL16136369

CC(=O)NCCc1nccn1Cc1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.48
HSP90B1 P14625 6/20 0.48
HSP90AB1 P08238 1/20 0.48
BRD4 O60885 1/20 0.48
HDAC1 Q13547 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
KCNH2 Q12809 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43

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
SCHEMBL16136235 0.88 BRD4 (0.47) HSP90AA1HSP90B1HSP90AB1BRD4HDAC1
SCHEMBL16136314 0.88 HSP90AA1 (0.54) HSP90AA1HSP90B1HSP90AB1HDAC1HPGD
SCHEMBL16133644 0.88 HSP90AA1 (0.46) HSP90AA1HSP90B1HSP90AB1BRD4HDAC1
SCHEMBL16136332 0.87 HSP90B1 (0.55) HSP90AA1HSP90B1HSP90AB1SMN1; SMN2
SCHEMBL16768651 0.84 HSP90AA1 (0.46) HSP90AA1HSP90B1HSP90AB1BRD4HDAC1
SCHEMBL16064990 0.82 HSP90B1 (0.54) HSP90AA1HSP90B1SMN1; SMN2NPC1RAB9A
SCHEMBL16136365 0.79 HSP90AA1 (0.58) HSP90AA1HSP90B1HSP90AB1BRD4SMN1; SMN2
SCHEMBL16136340 0.79 SMN1; SMN2 (0.59) HSP90AA1HSP90B1HDAC1SMN1; SMN2NPC1
SCHEMBL16133632 0.79 BRD4 (0.45) HSP90AA1HSP90B1HSP90AB1BRD4HDAC1
SCHEMBL6159150 0.77 SMN1; SMN2 (0.66) KDM4EMAPTMEN1KMT2ASMN1; SMN2

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 HSP90AA1 4223/4885HSP90B1 2912/4885HSP90AB1 3898/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885HSP90AB1 3898/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885HSP90AB1 3898/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSP90AA1 4223/4885HSP90B1 2912/4885HSP90AB1 3898/4885

“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.