SCHEMBL17050824

SCHEMBL17050824

CC(=O)NCCc1nc2ccccc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 3/20 0.57
CYP1A2 P05177 2/20 0.57
ALOX15 P16050 1/20 0.57
CYP2C19 P33261 1/20 0.57
HPGD P15428 4/20 0.56
RAB9A P51151 2/20 0.56
MAPT P10636 6/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 3/20 0.54
ATM Q13315 1/20 0.54
ADORA1 P30542 1/20 0.54
DYRK1A Q13627 1/20 0.54
GAA P10253 2/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
PDE10A Q9Y233 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
SCHEMBL16136346 0.86 HPGD (0.55) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL27452722 0.85 HPGD (0.64) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL16133681 0.85 SMN1; SMN2 (0.53) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL17481133 0.83 HPGD (0.69) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL11590976 0.80 HPGD (0.68) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL7435843 0.80 UBE2T (0.56) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL16768664 0.79 HPGD (0.51) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL17500055 0.79 HTT (0.71) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL18381211 0.79 SLC13A5 (0.56) SMN1; SMN2HTTCYP1A2ALOX15CYP2C19
SCHEMBL18381451 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HTTALOX15HPGDRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365570-B2 Substituted 6, 5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2016-06-14 US disclosed
US-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2015-09-03 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 (1 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-20150246916-A1 Substituted 6, 5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 SMN1; SMN2 4624/4885HTT 906/4885CYP1A2 36/4885

“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.