SCHEMBL890692

SCHEMBL890692

Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.71
KDM4E B2RXH2 1/20 0.63
PKM P14618 1/20 0.60
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 2/20 0.58
CGAS Q8N884 1/20 0.58
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HTT P42858 2/20 0.55
ALOX15 P16050 1/20 0.55
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
RECQL P46063 1/20 0.54
F10 P00742 3/20 0.53
ALDH1A1 P00352 2/20 0.53

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
SCHEMBL3151263 0.91 POLB (0.83) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL2433512 0.90 POLB (0.67) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL4860141 0.90 KDM4E (0.77) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL6107817 0.87 POLB (0.57) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL15855141 0.87 POLB (0.60) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL3152166 0.86 POLB (0.58) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL4859580 0.86 KDM4E (0.63) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL6107813 0.85 KMT2A (0.71) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL297441 0.85 RAB9A (0.59) POLBKDM4EPKMRAB9ASMN1; SMN2
SCHEMBL4858718 0.84 KMT2A (0.67) POLBKDM4EPKMRAB9ASMN1; 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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542529-B1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA LLC PHARMADIALL (RU) 2019-09-04 EP disclosed
US-10179124-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-01-15 US disclosed
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2018-02-08 US disclosed
WO-2017217895-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTICOAGULANT N-(5-CHLOROPYRIDINE-2-YL)-2-({4-[ETHANIMIDOIL(METHYL)AMINO]BENZOYL}AMINO)-5-METHYLBENZAMIDE "PHARMADIALL" LTD (RU) 2017-12-21 WO disclosed
US-20170326119-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-9708265-B2 Urethanes, ureas, amidines and related inhibitors of factor Xa PHARMADIALL LIMITED LIABILITY COMPANY (RU) 2017-07-18 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-9555023-B2 Pharmaceutical salts and polymorphs of a factor Xa inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-01-31 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
US-20160101089-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2016-04-14 US disclosed
WO-2002064567-A2 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF FACTOR XA ELI LILLY AND COMPANY (US) 2002-08-22 WO disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
US-6376515-B2 DERIVATIVES OF A 2-((4-AMIDINYLPHENYL)-CARBONYLAMINO-1,2-PHENYLENE)-CARBONYLAMINO-) PYRIDINE; POTENT AND HIGHLY SELECTIVE ANTICOAGULANTS; BIOAVAILABILITY AND/OR SOLUBILITY; PREVENTION AND TREATMENT OF THROMBOSIS AND COAGULATION COR THERAPEUTICS, INC. 2002-04-23 US disclosed
WO-2002010154-A2 SUBSTITUTED HETEROCYCLIC AMIDES ELI LILLY AND COMPANY (US) 2002-02-07 WO disclosed
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation MILLENNIUM PHARMACEUTICALS, INC. 2002-01-03 US disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
WO-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 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 (6 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-20170326119-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI POLB 3474/4885KDM4E 4230/4885PKM 2703/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 POLB 2792/4885KDM4E 1933/4885PKM 2261/4885
US-20180036296-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 POLB 2792/4885KDM4E 1933/4885PKM 2261/4885
US-20020002183-A1 Derivatives of a 2-((4-amidinylphenyl)-carbonylamino-1,2-phenylene)-carbonylamino-)pyridine; potent and highly selective anticoagulants; bioavailability and/or solubility; prevention and treatment of thrombosis and coagulation F2, F12, PLAT POLB 3511/4885KDM4E 1946/4885PKM 443/4885
US-20160101089-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI POLB 3474/4885KDM4E 4230/4885PKM 2703/4885
US-10179124-B2 Benzamides and related inhibitors of factor Xa TFPI, F12, TFPI2 POLB 2792/4885KDM4E 1933/4885PKM 2261/4885

“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.