SCHEMBL10054898

SCHEMBL10054898

Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)/C=C/c3cncnc3)c2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
NAMPT P43490 1/20 0.48
BRAF P15056 3/20 0.48
MAPT P10636 5/20 0.47
TP53 P04637 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 4/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
POLB P06746 2/20 0.47
LCK P06239 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
MAPK14 Q16539 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SENP6 Q9GZR1 1/20 0.44
HDAC3 O15379 1/20 0.44
ABL1 P00519 1/20 0.44

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
SCHEMBL2679308 0.96 MAPT (0.49) NPC1NAMPTBRAFMAPTTP53
SCHEMBL2679844 0.91 MAPT (0.49) NPC1NAMPTBRAFMAPTTP53
SCHEMBL10078767 0.91 MAPT (0.49) NPC1NAMPTBRAFMAPTTP53
SCHEMBL2679937 0.89 NAMPT (0.63) NPC1NAMPTBRAFMAPTMEN1
SCHEMBL10054802 0.89 NAMPT (0.63) NPC1NAMPTBRAFMAPTMEN1
SCHEMBL10054828 0.89 HDAC1 (0.50) NPC1NAMPTBRAFMAPTTP53
SCHEMBL2679114 0.89 HDAC1 (0.50) NPC1NAMPTBRAFMAPTTP53
SCHEMBL10077760 0.88 LCK (0.48) NPC1BRAFMAPTTP53SMN1; SMN2
SCHEMBL2678790 0.88 LCK (0.48) NPC1BRAFMAPTTP53SMN1; SMN2
SCHEMBL10054899 0.88 NPC1 (0.50) NPC1NAMPTBRAFMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
US-8426446-B2 Acrylamide derivative and use thereof in manufacture of medicament BEIJING SHIQIAO BIOPHARM CO. LTD. (CN) 2013-04-23 US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 US disclosed
US-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament BEIJING JIASHILIANBO PHARM SCI & TECH CO. LTD 2012-05-10 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-20120116075-A1 Acrylamide Derivative And Use Thereof In Manufacture Of Medicament ABL1, ABL2, BCR NPC1 4708/4885NAMPT 3700/4885BRAF 21/4885

“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.