SCHEMBL5568465

SCHEMBL5568465

Cc1nc(-c2ccc(CN)c([N+](=O)[O-])c2)no1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 6/20 0.44
POLB P06746 4/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5567393 0.87 L3MBTL1 (0.47) CA12CA1CA2CA9L3MBTL1
SCHEMBL5563814 0.83 MAPT (0.51) L3MBTL1NPC1RAB9AMAPTPOLB
SCHEMBL15156997 0.83 MAPT (0.57) CA12CA1CA2CA9L3MBTL1
SCHEMBL5569675 0.82 MAPT (0.57) CA12CA1CA2CA9L3MBTL1
SCHEMBL15965364 0.80 L3MBTL1 (0.50) CA12CA1CA2CA9L3MBTL1
SCHEMBL6267898 0.80 MAPT (0.63) CA12CA1CA2CA9L3MBTL1
SCHEMBL14757480 0.80 MAPT (0.52) NPC1RAB9AMAPTPOLBGAA
SCHEMBL5568191 0.79 MAPT (0.49) L3MBTL1MAPTRXFP1HPGDMAPK1
Hydrochloric Acid SCHEMBL14741588 0.79 MAPT (0.51) NPC1RAB9AMAPTPOLBGAA
SCHEMBL14714241 0.77 TDP1 (0.57) L3MBTL1MAPTPOLB

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 CA12 2217/4885CA1 1764/4885CA2 1426/4885

“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.