SCHEMBL5563201

SCHEMBL5563201

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2NCc2ccccc2)cc(OC)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
UBE2N P61088 1/20 0.46
MAPT P10636 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 3/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTT P42858 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43

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
SCHEMBL5563846 0.93 NR1H4 (0.55) HDAC8HDAC1HDAC6SMN1; SMN2LMNA
SCHEMBL5568380 0.92 ROCK2 (0.47) HDAC8HDAC1HDAC6NR1H4F10
SCHEMBL5568563 0.92 NPC1 (0.53) HDAC8HDAC1HDAC6SMN1; SMN2LMNA
SCHEMBL5568105 0.90 NPC1 (0.48) HDAC8HDAC1HDAC6SMN1; SMN2LMNA
SCHEMBL5567376 0.89 MEN1 (0.51) HDAC1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL5568303 0.88 F10 (0.43) HDAC8HDAC1HDAC6SMN1; SMN2LMNA
SCHEMBL5054227 0.88 RXFP1 (0.46) HDAC1SMN1; SMN2MAPTNR1H4F10
SCHEMBL5568503 0.88 MEN1 (0.48) HDAC1SMN1; SMN2LMNAHPGDMAPT
SCHEMBL5564310 0.88 HDAC1 (0.52) HDAC8HDAC1HDAC6SMN1; SMN2LMNA
SCHEMBL5567693 0.87 MAPT (0.47) HDAC1SMN1; SMN2LMNAHPGDMAPT

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 8 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
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 disclosed
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
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 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 HDAC8 795/4885HDAC1 1184/4885HDAC6 826/4885

“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.