SCHEMBL3085773

SCHEMBL3085773

CCOC(=O)C1CCN(C(=O)O)C1c1cc([N+](=O)[O-])ccc1SC1CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
CACNA1C Q13936 3/20 0.41
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
FKBP1A P62942 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3085774 1.00 MAPT (0.43) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL3087284 0.90 MAPT (0.44) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL3087288 0.90 MAPT (0.44) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL11349724 0.89 MAPT (0.41) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL11348613 0.89 MAPT (0.41) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL3079557 0.89 MAPT (0.41) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL3992059 0.89 MAPT (0.41) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL3079561 0.89 MAPT (0.41) MAPTCACNA1CALDH1A1KMT2ASMN1; SMN2
SCHEMBL3992061 0.84 DRD2 (0.34) MAPTCACNA1CALDH1A1SMN1; SMN2GAA
SCHEMBL4107171 0.82 ALDH1A1 (0.39) MAPTALDH1A1KMT2ASMN1; SMN2

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 3 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

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 1524/4885CACNA1C 3504/4885ALDH1A1 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.