SCHEMBL5568191

SCHEMBL5568191

Cc1nc(-c2ccc(CN3C(=O)c4ccccc4C3=O)c([N+](=O)[O-])c2)no1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TYR P14679 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ACHE P22303 1/20 0.41
S1PR1 P21453 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL5568465 0.79 CA12 (0.47) MAPTHPGDRXFP1MAPK1L3MBTL1
SCHEMBL5567393 0.79 L3MBTL1 (0.47) MAPTHPGDRXFP1MAPK1L3MBTL1
SCHEMBL2806608 0.78 MEN1 (0.49) MAPTMEN1KMT2ARXFP1TDP1
SCHEMBL5563814 0.77 MAPT (0.51) MAPTALDH1A1L3MBTL1
SCHEMBL22776736 0.75 MEN1 (0.43) MAPTMEN1KMT2ARXFP1TDP1
SCHEMBL5569675 0.74 MAPT (0.57) MAPTHPGDRXFP1MAPK1RECQL
SCHEMBL540166 0.72 GRM5 (0.52) MEN1KMT2ARXFP1MAPK1TYR
SCHEMBL540147 0.72 ACHE (0.60) MEN1KMT2ARXFP1TYRALDH1A1
SCHEMBL15965364 0.72 L3MBTL1 (0.50) MAPTHPGDRXFP1MAPK1ALDH1A1
SCHEMBL6267898 0.72 MAPT (0.63) MAPTHPGDMEN1KMT2AMAPK1

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 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 (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 4008/4885HPGD 3724/4885MEN1 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.