SCHEMBL3073601

SCHEMBL3073601

CCOC(=O)C1CCN(C(=O)O)C1c1cc([N+](=O)[O-])ccc1S(=O)(=O)CC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 3/20 0.44
FKBP1A P62942 1/20 0.44
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
VCAM1 P19320 1/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3073603 1.00 TDP1 (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL3087664 0.91 TDP1 (0.45) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL3087661 0.91 TDP1 (0.45) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL3088931 0.89 TDP1 (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL3088929 0.89 TDP1 (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL15268054 0.89 TDP1 (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL8227967 0.89 TDP1 (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL11355472 0.89 TDP1 (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A
SCHEMBL3079269 0.84 SHMT2 (0.38) ALDH1A1KMT2ASMN1; SMN2L3MBTL1LMNA
SCHEMBL3087284 0.83 MAPT (0.44) TDP1MAPTFKBP1AALDH1A1KMT2A

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 TDP1 2390/4885MAPT 1524/4885FKBP1A 1878/4885

“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.