SCHEMBL5567873

SCHEMBL5567873

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2NC(=O)Nc2ccccc2)cc(OC)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PLAU P00749 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HIF1A Q16665 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
HTT P42858 2/20 0.42
KLK1 P06870 2/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42

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
SCHEMBL5567693 0.89 MAPT (0.47) PPARGMEN1KMT2AMAPTPLAU
SCHEMBL5568349 0.88 PPARG (0.44) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL5568097 0.87 PPARG (0.42) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL5563375 0.86 MEN1 (0.48) MEN1KMT2AMAPTPLAUSMN1; SMN2
SCHEMBL5564310 0.86 HDAC1 (0.52) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL5563201 0.85 HDAC8 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL5568033 0.84 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2RXFP1
SCHEMBL5563878 0.83 MAPT (0.46) PPARGMEN1KMT2AMAPTALDH1A1
SCHEMBL5567364 0.83 RXFP1 (0.49) MEN1KMT2AMAPTSMN1; SMN2RXFP1
SCHEMBL5567376 0.83 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; 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 6 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
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 disclosed
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 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-20050009895-A1 3,4-disubstituted benzamidines and benzylamines, and analogues thereof, useful as serine protease inhibitors TFPI, HABP2, TFPI2 PPARG 4879/4885MEN1 1479/4885KMT2A 712/4885

“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.