SCHEMBL4826893

SCHEMBL4826893

NC1(C(=O)Nc2ncc(Br)s2)CCCC1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FPR2 P25090 15/20 0.46
FPR3 P25089 12/20 0.46
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
ATAD2 Q6PL18 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
SCHEMBL14253879 0.75 ABL1 (0.53) CCNE1CDK2CDK5ATAD2
SCHEMBL962327 0.73 CNR2 (0.53)
SCHEMBL4827961 0.73 LMNA (0.53) SMN1; SMN2
SCHEMBL6729 0.72 CCNE1 (0.59) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL12046973 0.71 GAA (0.56) MAPK10SMN1; SMN2
SCHEMBL4827968 0.71 ABL1 (0.48) SMN1; SMN2CCNE1CDK2CDK5ATAD2
SCHEMBL14476229 0.71 SMN1; SMN2 (0.55) MAPK10SMN1; SMN2FPR2FPR3CCNE1
SCHEMBL1749806 0.71 SMN1; SMN2 (0.59) MAPK10SMN1; SMN2CCNE1CDK2CDK5
SCHEMBL20270816 0.70 SMN1; SMN2 (0.58) MAPK10SMN1; SMN2FPR2FPR3CCNE1
SCHEMBL1053446 0.70 ADORA1 (0.49) MAPK10SMN1; SMN2FPR2FPR3CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348425-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2008-03-25 US disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 EP disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 (2 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-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 MAPK10 3295/4885SMN1; SMN2 4394/4885FPR2 4184/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 MAPK10 3295/4885SMN1; SMN2 4394/4885FPR2 4184/4885

“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.