SCHEMBL5564415

SCHEMBL5564415

Cc1cccc(C(=O)NCc2ccc(C(=N)N)cc2NCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
F2 P00734 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
F7 P08709 1/20 0.43
F10 P00742 5/20 0.42
PRSS1 P07477 1/20 0.42
GPR139 Q6DWJ6 1/20 0.41
KLKB1 P03952 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
Hydrochloric Acid SCHEMBL5089175 0.91 F2 (0.43) CA1CA2POLBF2NPC1
Hydrochloric Acid SCHEMBL5086284 0.90 CA1 (0.41) CA1CA2POLBF2NPC1
SCHEMBL8266398 0.90 F2 (0.44) CA1CA2POLBF2NPC1
Hydrochloric Acid SCHEMBL5094118 0.90 HDAC8 (0.52) CA1CA2F2NPC1RAB9A
Hydrochloric Acid SCHEMBL5900692 0.89 F2 (0.47) POLBF2NPC1RAB9AF7
Hydrochloric Acid SCHEMBL5178497 0.89 CA1 (0.41) CA1CA2POLBF2NPC1
SCHEMBL5563866 0.89 F10 (0.47) F2F10PRSS1KLKB1
SCHEMBL8266155 0.89 CA1 (0.42) CA1CA2POLBF2NPC1
Hydrochloric Acid SCHEMBL5089572 0.88 CA1 (0.43) CA1CA2POLBF2NPC1
SCHEMBL8267082 0.88 HDAC8 (0.53) CA1CA2F2NPC1RAB9A

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 7 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-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 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
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
US-20060116410-A1 4-Aminomethyl benzamidine derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 US disclosed
WO-2006027135-A1 4-AMINOMETHYL BENZAMIDINE DERIVATIVES AND THEIR USE AS FACTOR VIIIA INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-16 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CA1 1764/4885CA2 1426/4885POLB 4245/4885
US-20060116410-A1 4-Aminomethyl benzamidine derivatives F7, HABP2, F12 CA1 2336/4885CA2 1370/4885POLB 4510/4885

“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.