SCHEMBL12467649

SCHEMBL12467649

Cc1ccc(-c2nc(C(=O)N(C)C)cs2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
STS P08842 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19114028 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ENPC1MAPTGFER
SCHEMBL19114171 0.77 RAB9A (0.60) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL12471841 0.74 HTR2C (0.41) ALDH1A1KDM4ENPC1MAPTGFER
SCHEMBL10274884 0.73 TLR7 (0.45) HSD17B1HSD17B2ALDH1A1KDM4ENPC1
SCHEMBL1000293 0.73 HDAC1 (0.64) HSD17B1HSD17B2ALDH1A1KDM4ENPC1
SCHEMBL3461226 0.73 HSD17B1 (0.48) HSD17B1HSD17B2ALDH1A1NPC1RAB9A
SCHEMBL890218 0.71 NPC1 (0.50) ALDH1A1KDM4ENPC1MAPTGFER
SCHEMBL12925917 0.71 HSD17B1 (0.49) HSD17B1HSD17B2ALDH1A1NPC1RAB9A
SCHEMBL17716398 0.70 PLA2G4A (0.38) HSD17B1HSD17B2ALDH1A1MAPTGFER
SCHEMBL31553238 0.70 HDAC1 (0.39) HSD17B1HSD17B2ALDH1A1NPC1MAPT

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-8765667-B2 HCV protease inhibitors EISSENSTAT MICHAEL (US) 2014-07-01 US disclosed
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN HSD17B1 806/4885HSD17B2 1504/4885ALDH1A1 1802/4885

“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.