SCHEMBL5568560

SCHEMBL5568560

COc1cc(C(=O)NCc2ccc(C(=N)N)cc2[N+](C)(C)C(=O)NC2CCCCC2)cc(OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
F2 P00734 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
PLG P00747 2/20 0.42
PRSS1 P07477 2/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
ST14 Q9Y5Y6 2/20 0.42
ALPL P05186 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
POLB P06746 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
SCHEMBL5568655 0.99 EPHX2 (0.44) EPHX2F2MEN1KMT2APLG
SCHEMBL5568337 0.82 EPHX2 (0.50) EPHX2F2MEN1KMT2APLG
SCHEMBL5568118 0.81 EPHX2 (0.51) EPHX2F2MEN1KMT2APLG
SCHEMBL5568558 0.80 MEN1 (0.45) EPHX2F2MEN1KMT2APLG
SCHEMBL5568654 0.79 MEN1 (0.43) EPHX2F2MEN1KMT2APLG
SCHEMBL5567643 0.77 MEN1 (0.53) EPHX2F2MEN1KMT2APRSS1
SCHEMBL5567364 0.76 RXFP1 (0.49) EPHX2F2MEN1KMT2APRSS1
SCHEMBL5568503 0.75 MEN1 (0.48) EPHX2F2MEN1KMT2APRSS1
SCHEMBL5568033 0.74 MEN1 (0.50) EPHX2F2MEN1KMT2APRSS1
SCHEMBL5565593 0.74 EPHX2 (0.42) EPHX2F2MEN1KMT2APLG

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 2 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
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

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 EPHX2 1093/4885F2 17/4885MEN1 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.