SCHEMBL3077165

SCHEMBL3077165

COC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1c1cc([N+](=O)[O-])ccc1S(=O)(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GHSR Q92847 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
DRD2 P14416 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PTPN1 P18031 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11351145 1.00 MAPT (0.40) MAPTGHSRALDH1A1LMNADRD2
SCHEMBL2916506 1.00 MAPT (0.40) MAPTGHSRALDH1A1LMNADRD2
SCHEMBL11351128 1.00 MAPT (0.40) MAPTGHSRALDH1A1LMNADRD2
SCHEMBL15268057 0.90 NR1H2 (0.42) MAPTGHSRALDH1A1LMNADRD2
SCHEMBL3077286 0.85 NR1H2 (0.41) MAPTALDH1A1KMT2AMEN1NR1H2
SCHEMBL4338373 0.85 NR1H2 (0.41) MAPTALDH1A1KMT2AMEN1NR1H2
SCHEMBL2913738 0.85 NR1H2 (0.41) MAPTALDH1A1KMT2AMEN1NR1H2
SCHEMBL2912061 0.85 NR1H2 (0.41) MAPTALDH1A1KMT2AMEN1NR1H2
SCHEMBL12219940 0.85 NR1H2 (0.41) MAPTALDH1A1KMT2AMEN1NR1H2
SCHEMBL3083078 0.85 NR1H2 (0.41) MAPTALDH1A1KMT2AMEN1NR1H2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061756-B1 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2013-09-25 EP disclosed
US-8222453-B2 Benzamide factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-09-09 US disclosed
EP-2061756-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENILACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2009-05-27 EP disclosed
WO-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 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-20100227894-A1 BENZAMIDE FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F9, F8 MAPT 1524/4885GHSR 2697/4885ALDH1A1 2361/4885

“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.