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SCHEMBL5565590

SCHEMBL5565590

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2N(C)CC(=O)Nc2ccc(C)cc2)cc(OC)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ROCK2 O75116 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KLK1 P06870 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ TMPRSS6 Q8IU80 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL5568637 0.94 MAPT (0.42) ALDH1A1KMT2AMEN1RXFP1ROCK2
SCHEMBL5567456 0.93 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1RXFP1ROCK2
SCHEMBL5567716 0.91 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1RXFP1ROCK2
SCHEMBL5568148 0.88 PLAU (0.48) ALDH1A1KMT2AMEN1EPHX2KDM4E
SCHEMBL5568169 0.88 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL5563505 0.87 UBE2N (0.45) ALDH1A1KMT2AMEN1RXFP1KDM4E
SCHEMBL5563126 0.87 NOTUM (0.48) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL5565420 0.86 KDM4E (0.41) ALDH1A1KMT2AMEN1RXFP1ROCK2
SCHEMBL5563884 0.85 KDM4E (0.40) ALDH1A1KMT2AMEN1RXFP1ROCK2
SCHEMBL5568085 0.84 NPC1 (0.42) ALDH1A1KMT2AMEN1GAASMN1; SMN2

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-7247654-B2 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-24 — — US claimed
EP-1628947-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-03-01 — — EP claimed
US-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-13 — — US claimed
WO-2004110374-A2 3,4-DISUBSTITUTED BENZAMIDINES AND BENZYLAMINES, AND ANALOGUES THEREOF, USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-23 — — WO claimed

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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 ALDH1A1 3998/4885KMT2A 712/4885MEN1 1479/4885

“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.