SCHEMBL6581750

SCHEMBL6581750

COc1ccc(C#N)cc1Oc1cc(C(=O)N(C)C)cc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
ACLY P53396 2/20 0.38
MDM2 Q00987 2/20 0.38
F10 P00742 3/20 0.38
AR P10275 2/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PLAU P00749 1/20 0.36
PIK3CB P42338 1/20 0.36
HCRTR2 O43614 1/20 0.36

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
SCHEMBL6578574 0.88 CA12 (0.40) NCEH1SLC6A4F10ARF2
SCHEMBL6579303 0.84 F10 (0.57) F10ARF2
SCHEMBL6578609 0.81 F10 (0.63) F10ARF2
SCHEMBL6581885 0.80 F10 (0.51) F10F2
SCHEMBL6579796 0.80 POLB (0.45) F10
SCHEMBL6581648 0.79 F10 (0.53) F10ARF2
SCHEMBL6581015 0.74 F10 (0.47) F10F2CYP11B2PIK3CB
SCHEMBL6578523 0.74 F10 (0.64) F10F2
SCHEMBL6576165 0.72 F10 (0.58) F10ARF2
SCHEMBL6580778 0.71 F10 (0.74) F10F2

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 16 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
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US 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 NCEH1 1240/4885GPBAR1 3939/4885SLC6A2 4062/4885
US-20020028820-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 NCEH1 1240/4885GPBAR1 3939/4885SLC6A2 4062/4885
US-20020035109-A1 Benzamidine derivatives and their use as anti-coagulants SERPINC1, HABP2, SERPINE1 NCEH1 1136/4885GPBAR1 3837/4885SLC6A2 3990/4885

“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.