SCHEMBL6162376

SCHEMBL6162376

COC(=O)c1cc(-c2ccccc2)cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A4 P31645 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
ERN1 O75460 1/20 0.48

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
SCHEMBL6606900 0.92 NPC1 (0.52) ALOX5KMT2AMEN1ALDH1A1MAPT
Phenylboronic Acid SCHEMBL6611114 0.91 ALOX5 (0.51) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL8413415 0.91 HTT (0.56) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL8413418 0.88 HTT (0.51) ALOX5KMT2AMEN1MAPTPOLB
SCHEMBL311833 0.87 MEN1 (0.53) ALOX5KMT2AMEN1MAPTLMNA
SCHEMBL29727627 0.86 MEN1 (0.60) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL2684708 0.86 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL18496690 0.86 MEN1 (0.60) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL18172331 0.86 POLB (0.47) ALOX5KMT2AMEN1ALDH1A1MAPT
SCHEMBL16050355 0.85 NPC1 (0.63) ALOX5KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
CN-1256334-C Alkoxycarbonylaminobenzoic acid or alkoxycarbonylaminotetrazolylphenyl derivatives as IP antagonists HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
EP-1379516-B1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-11-16 EP disclosed
US-6903086-B2 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2005-06-07 US disclosed
EP-1379516-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2002-11-07 US disclosed
WO-2002070500-A1 ALKOXYCARBONYLAMINO BENZOIC ACID OR ALKOXYCARBONYLAMINO TETRAZOLYL PHENYL DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-09-12 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 (2 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-20020165235-A1 Alkoxycarbonylamino benzoic acid or alkoxycarbonylamino tetrazolyl phenyl derivatives as IP antagonists GPBAR1, GABRP, TBXA2R ALOX5 590/4885KMT2A 4499/4885MEN1 3180/4885
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 ALOX5 483/4885KMT2A 3655/4885MEN1 1372/4885

“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.