SCHEMBL4220098

SCHEMBL4220098

COCCOCOc1ccc(CNC(=O)O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
F2 P00734 1/20 0.40
ELANE P08246 1/20 0.40
MEN1 O00255 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6683403 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1USP2LMNA
SCHEMBL1303637 0.89 ALDH1A1 (0.44) ALDH1A1KDM4ETDP1USP2LMNA
SCHEMBL6683558 0.88 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1USP2LMNA
SCHEMBL1302718 0.85 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1USP2LMNA
SCHEMBL1303526 0.84 GAA (0.47) ALDH1A1KDM4ETDP1USP2LMNA
SCHEMBL6682162 0.82 L3MBTL1 (0.49) ALDH1A1KDM4ETDP1USP2LMNA
SCHEMBL6643777 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1USP2L3MBTL1
SCHEMBL1302652 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1USP2L3MBTL1
SCHEMBL6684938 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ETDP1USP2L3MBTL1
SCHEMBL1303745 0.77 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2982668-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS Pharmacyclics LLC (US) 2016-02-10 EP disclosed
US-9162986-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS LLC (US) 2015-10-20 US disclosed
EP-1569912-B1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS INC (US) 2015-04-29 EP disclosed
US-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS LLC 2014-12-25 US disclosed
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYLICS, INC. A DELAWARE CORPORATION (US) 2009-02-26 US disclosed
US-7479502-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2009-01-20 US disclosed
US-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke PHARMACYCLICS LLC 2006-09-14 US disclosed
EP-1569912-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2004050637-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-17 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-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke F7, F9, F5 ALDH1A1 1275/4885KDM4E 173/4885TDP1 2384/4885
US-20140378453-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 ALDH1A1 2997/4885KDM4E 561/4885TDP1 2108/4885
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors F13B, HABP2, F7 ALDH1A1 2997/4885KDM4E 561/4885TDP1 2108/4885

“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.