SCHEMBL5564436

SCHEMBL5564436

CCCNc1cc(C(=N)N)ccc1CNC(=O)c1cc(OC)c(C)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ROCK2 O75116 1/20 0.45
MAPT P10636 5/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
TP53 P04637 2/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 1/20 0.39
PRSS1 P07477 1/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL5567540 0.93 MEN1 (0.50) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5568458 0.92 MEN1 (0.49) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5568309 0.92 MEN1 (0.49) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5568503 0.92 MEN1 (0.48) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5567445 0.90 RXFP1 (0.50) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5563914 0.90 MEN1 (0.50) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5563773 0.90 MEN1 (0.47) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5567485 0.89 MEN1 (0.47) MEN1KMT2ARXFP1MAPTF2
SCHEMBL5568813 0.88 MEN1 (0.46) MEN1KMT2ARXFP1ROCK2MAPT
SCHEMBL5568597 0.88 MEN1 (0.46) MEN1KMT2ARXFP1MAPTF2

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 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 MEN1 1479/4885KMT2A 712/4885RXFP1 2808/4885

“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.