SCHEMBL3079557

SCHEMBL3079557

CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1c1cc([N+](=O)[O-])ccc1SC1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CACNA1C Q13936 1/20 0.39
DRD2 P14416 1/20 0.39
KMT2A Q03164 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
FKBP1A P62942 1/20 0.37
MEN1 O00255 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3079561 1.00 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL11349724 1.00 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL11348613 1.00 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL3992059 1.00 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL11347553 0.91 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL8178851 0.91 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL3082443 0.91 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL3082446 0.91 MAPT (0.41) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL3085774 0.89 MAPT (0.43) MAPTALDH1A1LMNATDP1CACNA1C
SCHEMBL3085773 0.89 MAPT (0.43) MAPTALDH1A1LMNATDP1CACNA1C

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 1524/4885ALDH1A1 2361/4885LMNA 285/4885

“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.