SCHEMBL16136292

SCHEMBL16136292

CC(=O)NCc1ncc(C)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TP53 P04637 1/20 0.43
NOTUM Q6P988 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 1/20 0.41
KLK1 P06870 1/20 0.41
KLKB1 P03952 1/20 0.41
EGLN1 Q9GZT9 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
SCHEMBL16133641 0.86 MAPT (0.46) LMNATSHRSMN1; SMN2CYP2C19CYP3A4
SCHEMBL3037128 0.76 MAPT (0.46) LMNATSHRSMN1; SMN2CYP2C19CYP3A4
SCHEMBL19111415 0.75 KDM4E (0.44) LMNATSHRSMN1; SMN2CYP2C19CYP3A4
SCHEMBL16136363 0.74 LMNA (0.51) LMNATP53KMT2AEGLN1
SCHEMBL28705169 0.74 NOTUM (0.53) LMNATSHRSMN1; SMN2CYP2C19CYP3A4
SCHEMBL16136238 0.73 CYP19A1 (0.48) GFERSMN1; SMN2CYP2C19CYP1A2CYP2C9
SCHEMBL28026195 0.71 CYP2C19 (0.59) LMNATSHRSMN1; SMN2CYP2C19CYP3A4
SCHEMBL17503948 0.70 KLK1 (0.58) GFERLMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL97001 0.70 KMT2A (0.68) LMNATSHRSMN1; SMN2CYP2C19CYP2D6
Acetic Acid SCHEMBL10568555 0.69 KMT2A (0.66) LMNATSHRSMN1; SMN2CYP2C19CYP2D6

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 GFER 2129/4885LMNA 2821/4885TSHR 4516/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 GFER 2129/4885LMNA 2821/4885TSHR 4516/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 GFER 2129/4885LMNA 2821/4885TSHR 4516/4885
US-20160326170-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 GFER 2129/4885LMNA 2821/4885TSHR 4516/4885

“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.