SCHEMBL16136353

SCHEMBL16136353

CC(=O)NCCc1nc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.75
LMNA P02545 2/20 0.70
GAA P10253 1/20 0.66
THRB P10828 2/20 0.64
TSHR P16473 1/20 0.63
RECQL P46063 1/20 0.63
ALDH1A1 P00352 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 1/20 0.60

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
SCHEMBL13405878 0.92 HTT (0.84) HTTSMN1; SMN2LMNAGAA
SCHEMBL10454789 0.87 HTT (0.76) HTTSMN1; SMN2LMNAGAATHRB
SCHEMBL13405873 0.86 SMN1; SMN2 (1.00) HTTSMN1; SMN2LMNAGAATHRB
SCHEMBL12851299 0.85 HTT (0.74) HTTSMN1; SMN2LMNAGAATSHR
SCHEMBL16133686 0.85 HTT (0.73) HTTSMN1; SMN2LMNAGAATHRB
SCHEMBL17481131 0.84 GAA (0.81) HTTSMN1; SMN2LMNAGAATSHR
SCHEMBL13405884 0.83 TSHR (0.83) HTTSMN1; SMN2LMNAGAATHRB
SCHEMBL13405897 0.82 SMN1; SMN2 (0.79) HTTSMN1; SMN2LMNAGAATSHR
SCHEMBL18661208 0.82 HTT (0.70) HTTSMN1; SMN2LMNATSHRALDH1A1
SCHEMBL6304380 0.81 BCHE (0.69) HTTSMN1; SMN2LMNAGAATHRB

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 6 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-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 (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 HTT 906/4885SMN1; SMN2 4624/4885LMNA 2821/4885
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HTT 906/4885SMN1; SMN2 4624/4885LMNA 2821/4885
US-20140296283-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HTT 906/4885SMN1; SMN2 4624/4885LMNA 2821/4885

“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.