SCHEMBL297441

SCHEMBL297441

COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
NPC1 O15118 7/20 0.59
KMT2A Q03164 6/20 0.59
POLB P06746 2/20 0.58
PKM P14618 2/20 0.57
MEN1 O00255 3/20 0.56
RXFP1 Q9HBX9 1/20 0.56
RECQL P46063 1/20 0.56
F10 P00742 3/20 0.56
KCNH2 Q12809 2/20 0.56
F2 P00734 2/20 0.56
CGAS Q8N884 1/20 0.55
KDM4E B2RXH2 2/20 0.52
TP53 P04637 2/20 0.50
ALOX15 P16050 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL15855147 0.89 POLB (0.53) RAB9ANPC1KMT2APOLBPKM
SCHEMBL12045547 0.88 PKM (0.74) RAB9ANPC1KMT2APOLBPKM
SCHEMBL2433512 0.87 POLB (0.67) RAB9ANPC1KMT2APOLBPKM
SCHEMBL15855141 0.86 POLB (0.60) RAB9ANPC1KMT2APOLBPKM
SCHEMBL15855144 0.86 F10 (0.57) RAB9ANPC1KMT2APOLBPKM
SCHEMBL4858718 0.86 KMT2A (0.67) RAB9ANPC1KMT2APOLBPKM
SCHEMBL5070165 0.85 PKM (0.78) RAB9ANPC1KMT2APOLBPKM
SCHEMBL890692 0.85 POLB (0.71) RAB9ANPC1KMT2APOLBPKM
SCHEMBL155078 0.84 RAB9A (0.61) RAB9ANPC1KMT2AMEN1RXFP1
SCHEMBL3152166 0.83 POLB (0.58) RAB9ANPC1KMT2APOLBPKM

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 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778224-B Preparation method of betrixaban intermediate 鲁南制药集团股份有限公司 2020-06-26 CN claimed
EP-3293175-B1 METHODS FOR PURIFICATION OF SERINE PROTEASES ALEXION PHARMA INC (US) 2021-12-01 EP disclosed
CN-107778224-B Preparation method of betrixaban intermediate 鲁南制药集团股份有限公司 2020-06-26 CN disclosed
CN-107778224-B Preparation method of betrixaban intermediate 鲁南制药集团股份有限公司 2020-06-26 CN disclosed
CN-107778223-B Preparation method of betrixaban maleate 鲁南制药集团股份有限公司 2020-05-15 CN disclosed
EP-2542529-B1 URETHANES, UREAS, AMIDINES AND RELATED INHIBITORS OF FACTOR XA LLC PHARMADIALL (RU) 2019-09-04 EP disclosed
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2019-02-14 US disclosed
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2019-02-14 US disclosed
EP-3293175-A1 METHODS FOR PURIFICATION OF SERINE PROTEASES Portola Pharmaceuticals, Inc. (US) 2018-03-14 EP disclosed
US-20170326119-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. 2017-11-16 US disclosed
US-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride MILLENNIUM PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride MILLENNIUM PHARMACEUTICALS, INC. 2007-05-17 US disclosed
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 US disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP 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 (5 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 RAB9A 1402/4885NPC1 969/4885KMT2A 4431/4885
US-20190046510-A1 NOVEL PHARMACEUTICAL SALTS AND POLYMORPHS OF A FACTOR XA INHIBITOR F12, F11, TFPI RAB9A 1402/4885NPC1 969/4885KMT2A 4431/4885
US-20040029874-A1 Aromatic amides F11, F12, F5 RAB9A 2097/4885NPC1 1659/4885KMT2A 1697/4885
US-20070112039-A1 Better thermal and hydrolytic stability than the free-base compounds; N-(5-chloro-pyridin-2-yl)-2-(4-cyano-benzoyl-amino)-5-methoxy-benzamide Hydrochloride F12, CMA1, F11 RAB9A 2748/4885NPC1 2242/4885KMT2A 1327/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 RAB9A 2097/4885NPC1 1659/4885KMT2A 1697/4885

“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.