SCHEMBL6581501

SCHEMBL6581501

[CH]=CC(=O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.63
CYP1A2 P05177 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAOB P27338 6/20 0.57
MAOA P21397 3/20 0.57
MMP1 P03956 2/20 0.57
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
EGFR P00533 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
EPHX1 P07099 1/20 0.56
TSHR P16473 1/20 0.56
EPHX2 P34913 1/20 0.56
CDK9 P50750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
NAPRT Q6XQN6 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49

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
SCHEMBL6302448 0.81 MMP1 (0.73) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL9840923 0.81 MMP1 (0.73) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL6302452 0.81 MMP1 (0.73) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL2900749 0.79 TGM2 (0.65) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL725250 0.79 TGM2 (0.65) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL11603085 0.78 TGM2 (0.59) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL11601122 0.78 TGM2 (0.64) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL9080645 0.77 TGM2 (0.63) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL81209 0.77 TGM2 (1.00) TGM2CYP1A2NPSR1MAOBMAOA
SCHEMBL2664164 0.77 TGM2 (0.63) TGM2CYP1A2NPSR1MAOBMAOA

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
EP-0813525-B9 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2004-02-04 EP disclosed
US-6686364-B2 4-HYDROXY-3-((3,5-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 2004-02-03 US disclosed
EP-0813525-B1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LAB (US) 2003-10-01 EP disclosed
US-6479485-B2 4-HYDROXY-3-((3,4-DIFLUORO-6-(3 -DIMETHYLAMINOCARBONYLPHENOXY)-4-(2-METHOXY-4-CARBOXYPHENOXY) PYRIDIN-2-YL)OXY)BENZAMIDINE, FOR EXAMPLE; INHIBITION OF BLOOD COAGGULATION FACTOR XA BERLEX LABORATORIES, INC. 2002-11-12 US disclosed
US-6465459-B2 INHIBIT THE ENZYME, FACTOR XA BERLEX LABORATORIES, INC. 2002-10-15 US disclosed
US-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-21 US disclosed
US-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-14 US disclosed
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. 2002-03-07 US disclosed
US-6350746-B1 FACTOR XA ENZYME INHIBITORS BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
US-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 US disclosed
US-6034103-A THROMBOSIS THERAPY BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US disclosed
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5877181-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-02 US disclosed
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 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-20020032223-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 TGM2 530/4885CYP1A2 653/4885NPSR1 4439/4885
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 TGM2 530/4885CYP1A2 653/4885NPSR1 4439/4885
US-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 TGM2 507/4885CYP1A2 689/4885NPSR1 4479/4885

“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.