SCHEMBL6107601

SCHEMBL6107601

COc1cccc(C(=O)Nc2ccc(Cl)cn2)c1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.60
KMT2A Q03164 7/20 0.60
NPC1 O15118 5/20 0.60
MEN1 O00255 4/20 0.60
RXFP1 Q9HBX9 1/20 0.60
ALOX15 P16050 2/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
F10 P00742 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.53
MAPT P10636 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
SCHEMBL14345367 0.86 RAB9A (0.60) RAB9AKMT2ANPC1MEN1RXFP1
SCHEMBL6108434 0.86 RAB9A (0.69) RAB9AKMT2ANPC1MEN1ALOX15
SCHEMBL6108817 0.86 RAB9A (0.57) RAB9AKMT2ANPC1MEN1ALOX15
SCHEMBL14366548 0.85 PKM (0.52) RAB9AKMT2ANPC1MEN1RXFP1
SCHEMBL2990105 0.85 KMT2A (0.57) RAB9AKMT2ANPC1MEN1RXFP1
SCHEMBL3646728 0.85 KMT2A (0.64) RAB9AKMT2ANPC1MEN1RXFP1
SCHEMBL6591553 0.84 MEN1 (0.59) RAB9AKMT2AMEN1HTTLMNA
SCHEMBL27453745 0.82 NPC1 (0.72) RAB9AKMT2ANPC1MEN1RXFP1
SCHEMBL5070165 0.82 PKM (0.78) RAB9AKMT2ANPC1MEN1RXFP1
SCHEMBL14345243 0.81 PKM (0.48) RAB9AKMT2ANPC1MEN1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227492-B2 Sulfoxamine derivatives as factor Xa inhibitors CADILA HEALTHCARE LIMITED (IN) 2012-07-24 US disclosed
US-20110065717-A1 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2011-03-17 US disclosed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 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-20040077690-A1 Quaternary amidino based inhibitors of factor xa MILLENNIUM PHARMACEUTICALS, INC. 2004-04-22 US disclosed
EP-1040108-B1 ORTHO-ANTHRANILAMIDE DERIVATIVES AS ANTI-COAGULANTS SCHERING AG (DE) 2004-02-25 EP 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-1322637-A2 QUATERNARY AMIDINO BASED INHIBITORS OF FACTOR XA Millennium Pharmaceuticals, Inc. (US) 2003-07-02 EP disclosed
US-6498185-B1 ENZYME FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2002-12-24 US disclosed
US-6380221-B1 FOR THERAPY OF DISEASE-STATES CHARACTERIZED BY THROMBOTIC ACTIVITY BERLEX LABORATORIES, INC. 2002-04-30 US disclosed
WO-2002026731-A2 QUATERNARY AMIDINO BASED INHIBITORS OF FACTOR XA MILLENIUM PHARMACEUTICALS, INC. (US) 2002-04-04 WO disclosed
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 EP disclosed
US-6140351-A FOR TREATING THROMBOSIS BERLEX LABORATORIES, INC. (US) 2000-10-31 US 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 (4 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-20040077690-A1 Quaternary amidino based inhibitors of factor xa F12, TFPI, F11 RAB9A 1146/4885KMT2A 3079/4885NPC1 2651/4885
US-20040029874-A1 Aromatic amides F11, F12, F5 RAB9A 2097/4885KMT2A 1697/4885NPC1 1659/4885
US-20110065717-A1 SULFOXIMINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F12, F2 RAB9A 3892/4885KMT2A 3629/4885NPC1 4821/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 RAB9A 2097/4885KMT2A 1697/4885NPC1 1659/4885

“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.