SCHEMBL3829465

SCHEMBL3829465

Cl[Sn](Cl)(Cl)Cl.N#Cc1cc(NN)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.39
BLM P54132 1/20 0.36
WRN Q14191 1/20 0.36
IDO1 P14902 1/20 0.36
TRPV4 Q9HBA0 2/20 0.35
PGR P06401 1/20 0.35
KHK P50053 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTP4A3 O75365 1/20 0.33
AR P10275 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
ACLY P53396 1/20 0.32
CNR2 P34972 1/20 0.31

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
SCHEMBL897882 0.93 GRM4 (0.47) GRM4ABCG2BLMWRNIDO1
Hydrochloric Acid SCHEMBL1765566 0.91 GRM4 (0.46) GRM4ABCG2BLMWRNIDO1
SCHEMBL7230699 0.91 GRM4 (0.46) GRM4ABCG2BLMWRNIDO1
Hydrochloric Acid SCHEMBL3829461 0.89 GRM4 (0.44) GRM4ABCG2BLMWRNIDO1
Hydrochloric Acid SCHEMBL7475755 0.89 GRM4 (0.48) GRM4ABCG2BLMWRNIDO1
Hydrochloric Acid SCHEMBL3829463 0.89 GRM4 (0.48) GRM4ABCG2BLMWRNIDO1
SCHEMBL3623834 0.78 TRPV4 (0.52) IDO1TRPV4PGRCYP11B1CYP11B2
SCHEMBL28296270 0.77 TRPV4 (0.50) IDO1TRPV4PGRCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5057770 0.77 TRPV4 (0.50) IDO1TRPV4PGRCYP11B1CYP11B2
SCHEMBL3173181 0.76 GRM4 (0.48) GRM4ABCG2BLMWRNTRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946508-B1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-09-23 EP disclosed
US-7235575-B2 Guanidine mimics as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-06-26 US disclosed
US-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders LAM PATRICK Y 2006-02-23 US disclosed
EP-1460996-A4 NOVEL-N-4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP disclosed
US-6965036-B2 Intermediates for guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2005-11-15 US disclosed
US-6958356-B2 Guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
EP-0991638-B1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-08-17 EP disclosed
US-6906070-B2 Anticoagulants BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-06-14 US disclosed
EP-1460996-A2 NOVEL-N-4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-6730689-B2 HETEROCYCLIC AMIDES SUCH AS N-(4-(2-(((METHYL)AMINO)METHYL)-1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL)-1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-5-CARBOXAMIDE, USED AS ANTICOAGULANTS; PROPHYLAXIS OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-05-04 US disclosed
WO-2003047517-A2 NOVEL-N-[4-(1H-IMIDAZOL-1-YL)-2-FLUOROPHENYL]-3-(TRIFLUOROMETHYL)-1-H-PYRAZOLE-5-CARBOXAMIDES AS FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 WO disclosed
US-6548512-B1 Pyrazole derivatives such as 1-(3-amidinophenyl)-3-methyl-2-((5-(2'-aminosulfonylphenyl-1-yl)pyrimidin-2 -yl)aminocarbonyl)pyrazole; treating thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-15 US disclosed
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-04-10 US disclosed
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-02-28 US disclosed
US-6339099-B1 FOR THERAPY AND PROPHYLAXIS OF THROMBOEMBOLIC DISORDER DUPONT PHARMACEUTICALS COMPANY 2002-01-15 US disclosed
EP-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 EP disclosed
US-6020357-A CARDIOVASCULAR DISORDERS; ANTCOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-01 US disclosed
EP-0946508-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-10-06 EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 WO disclosed
WO-1998028269-A1 NITROGEN CONTAINING HETEROAROMATICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-07-02 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 (3 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-20060040973-A1 1-Aminoisoindolyl derivatives and 3-amino- and 3-hydroxy- indazolyl-, benzisoxazolyl, and benzisothiazolyl- derivatives, e.g., 3-(3'-Aminobenzisoxazol-5'-yl)-5-[(2'-aminosulfonyl-[1,1']-biphen-4-yl)aminocarbonyl]-5-methylisoxazoline; treating thromboembolic disorders SERPINC1, F7, SERPINE1 GRM4 780/4885ABCG2 1230/4885BLM 2053/4885
US-20030069258-A1 Novel guanidine mimics factor Xa inhibitors TFPI, F11, F12 GRM4 2449/4885ABCG2 695/4885BLM 780/4885
US-20020025963-A1 Novel guanidine mimics as factor Xa inhibitors F11, SERPINC1, TFPI GRM4 2582/4885ABCG2 950/4885BLM 947/4885

“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.