SCHEMBL6166319

SCHEMBL6166319

COCOc1ccc(CCNC(=O)CC#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.54
ACACB O00763 3/20 0.51
PTPN1 P18031 1/20 0.51
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 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
SCHEMBL873597 0.91 POLB (0.47) POLBMAPTACACBPTPN1
SCHEMBL873835 0.81 KMT2A (0.47) POLBMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL8579461 0.77 SMN1; SMN2 (0.58) POLBMAPTPTPN1SMN1; SMN2ALDH1A1
SCHEMBL4353945 0.77 KDM4E (0.57) MAPTSMN1; SMN2
SCHEMBL8835177 0.76 LMNA (0.57) MAPTHPGDSMN1; SMN2HTT
SCHEMBL6312788 0.76 HPGD (0.60) POLBHPGD
SCHEMBL2265490 0.75 MCL1 (0.70) ABCB1HPGDABCG2SMN1; SMN2
SCHEMBL3369076 0.75 KMT2A (0.63) POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL31619840 0.75 KMT2A (0.63) POLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL21591853 0.74 ACACB (0.44) POLBMAPTACACBHPGDALDH1A1

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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative TSUMURA & CO. (JP) 2005-08-25 US disclosed
EP-1495757-A1 PHOSPHODIESTERASE IV INHIBITOR CONTAINING PYRIDYLACRYLAMIDE DERIVATIVE TSUMURA & CO. (JP) 2005-01-12 EP disclosed
US-6313153-B1 ADMINISTERING PYRIDYLACRYLAMIDE COMPOUND FOR THERAPY OF NEPHRITIS TSUMURA & CO. (JP) 2001-11-06 US disclosed
EP-1000935-A1 PYRIDYLACRYLAMIDE DERIVATIVES AND NEPHRITIS REMEDIES AND TGF-$g(b) INHIBITORS CONTAINING THE SAME TSUMURA & CO. (JP) 2000-05-17 EP 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-20050187264-A1 Phosphodiesterase iv inhibitor containing pyridylacrylamide derivative PDE3B, PDE3A, PDE2A POLB 759/4885MAPT 4734/4885ACACB 3310/4885

“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.