SCHEMBL5568637

SCHEMBL5568637

COc1ccc(NC(=O)CN(C)c2cc(C(=N)N)ccc2CNC(=O)c2cc(OC)c(C)c(OC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 3/20 0.41
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ROCK2 O75116 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.38
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38

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
SCHEMBL5565590 0.94 ALDH1A1 (0.42) MAPTMEN1KMT2AALDH1A1NAMPT
SCHEMBL5567456 0.92 ALDH1A1 (0.52) MEN1KMT2AALDH1A1NAMPTSMN1; SMN2
SCHEMBL5568148 0.91 PLAU (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5567716 0.88 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5568169 0.87 ALDH1A1 (0.51) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5563505 0.86 UBE2N (0.45) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5563126 0.86 NOTUM (0.48) MEN1KMT2AALDH1A1NAMPTSMN1; SMN2
SCHEMBL5565420 0.86 KDM4E (0.41) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5563884 0.84 KDM4E (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5568085 0.84 NPC1 (0.42) MAPTMEN1KMT2AALDH1A1SMN1; 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 MAPT 4008/4885MEN1 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.