SCHEMBL10054828

SCHEMBL10054828

Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)/C=C/c3cncnc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.50
HDAC3 O15379 2/20 0.50
BRAF P15056 1/20 0.48
ABL1 P00519 2/20 0.48
PDGFRB P09619 2/20 0.48
BCR P11274 2/20 0.48
KDR P35968 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
LMNA P02545 2/20 0.46
PDGFRA P16234 1/20 0.46
LCK P06239 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL2679114 1.00 HDAC1 (0.50) HDAC1HDAC3BRAFABL1PDGFRB
SCHEMBL2679606 0.94 LMNA (0.49) HDAC1HDAC3BRAFABL1LMNA
SCHEMBL10077696 0.94 LMNA (0.49) HDAC1HDAC3BRAFABL1LMNA
SCHEMBL2679945 0.92 SNCA (0.52) HDAC1HDAC3BRAFABL1PDGFRB
SCHEMBL10054829 0.92 SNCA (0.52) HDAC1HDAC3BRAFABL1PDGFRB
SCHEMBL2679172 0.89 NAMPT (0.58) HDAC1HDAC3ABL1PDGFRBBCR
SCHEMBL10054799 0.89 NAMPT (0.58) HDAC1HDAC3ABL1PDGFRBBCR
SCHEMBL10054898 0.89 NPC1 (0.51) HDAC1HDAC3BRAFABL1PDGFRB
SCHEMBL10054899 0.89 NPC1 (0.50) HDAC1HDAC3BRAFABL1PDGFRB
SCHEMBL2679325 0.87 BRAF (0.56) BRAFABL1KDRPDGFRALCK

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 HDAC1 3479/4885HDAC3 3998/4885BRAF 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.