SCHEMBL10054899

SCHEMBL10054899

Cc1ccc(C(=O)Nc2ccc(C)c(NC(=O)/C=C/c3cncnc3)c2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BRAF P15056 4/20 0.48
ABL1 P00519 3/20 0.48
KDR P35968 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 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
LCK P06239 3/20 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
SCHEMBL2680451 0.96 LCK (0.48) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL10054900 0.89 HDAC1 (0.56) NPC1RAB9ABRAFABL1KDR
SCHEMBL10054828 0.89 HDAC1 (0.50) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL2679114 0.89 HDAC1 (0.50) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL10054898 0.88 NPC1 (0.51) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL10054829 0.87 SNCA (0.52) NPC1RAB9ABRAFABL1KDR
SCHEMBL2679945 0.87 SNCA (0.52) NPC1RAB9ABRAFABL1KDR
SCHEMBL10077696 0.86 LMNA (0.49) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL2679606 0.86 LMNA (0.49) NPC1RAB9ASMN1; SMN2BRAFABL1
SCHEMBL2679325 0.86 BRAF (0.56) BRAFABL1KDRLCKKIT

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 4708/4885RAB9A 4310/4885SMN1; SMN2 4655/4885

“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.