SCHEMBL10054829

SCHEMBL10054829

Cc1ccc(NC(=O)c2ccc(F)cc2)cc1NC(=O)/C=C/c1cncnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.52
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
NAMPT P43490 3/20 0.49
BRAF P15056 2/20 0.49
LCK P06239 1/20 0.47
KIT P10721 1/20 0.47
SRC P12931 1/20 0.47
MAPK14 Q16539 1/20 0.47
MET P08581 1/20 0.47
PTGS2 P35354 1/20 0.47
ABL1 P00519 2/20 0.47
BCR P11274 2/20 0.47
PDGFRB P09619 1/20 0.47
KDR P35968 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL2679945 1.00 SNCA (0.52) SNCAHDAC3HDAC1NAMPTBRAF
SCHEMBL2679289 0.94 SNCA (0.52) SNCAHDAC3HDAC1NAMPTBRAF
SCHEMBL10078761 0.94 SNCA (0.52) SNCAHDAC3HDAC1NAMPTBRAF
SCHEMBL10054828 0.92 HDAC1 (0.50) HDAC3HDAC1NAMPTBRAFLCK
SCHEMBL2679114 0.92 HDAC1 (0.50) HDAC3HDAC1NAMPTBRAFLCK
SCHEMBL2678914 0.89 NAMPT (0.64) HDAC3HDAC1NAMPTBRAFABL1
SCHEMBL10054800 0.89 NAMPT (0.64) HDAC3HDAC1NAMPTBRAFABL1
SCHEMBL2679346 0.89 KIT (0.51) HDAC3HDAC1NAMPTBRAFLCK
SCHEMBL10077766 0.87 LCK (0.56) HDAC3HDAC1BRAFLCKKIT
SCHEMBL2679325 0.87 BRAF (0.56) BRAFLCKKITSRCMAPK14

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 SNCA 4238/4885HDAC3 3998/4885HDAC1 3479/4885

“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.