SCHEMBL3586865

SCHEMBL3586865

O=C(O)C(Br)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
ACP3 P15309 4/20 0.45
TDP1 Q9NUW8 1/20 0.43
CMA1 P23946 2/20 0.42
CTSG P08311 1/20 0.42
PTPN1 P18031 1/20 0.42
CDC25B P30305 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
WDR5 P61964 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
SCHEMBL6845352 1.00 ALDH1A1 (0.59) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL7440685 0.95 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL28739289 0.84 CYP2C9 (0.53) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL2369774 0.83 ALDH1A1 (0.57) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL28140482 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL6051357 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL328867 0.80 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL28192 0.79 ALDH1A1 (0.74) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL5285943 0.79 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD
SCHEMBL7437199 0.79 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
CN-101622241-B Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2013-05-22 CN disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
CN-101622241-A Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2010-01-06 CN disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 EP disclosed
EP-1255758-A1 APOPTOSIS-INDUCING COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2002-11-13 EP disclosed
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2001058904-A1 APOPTOSIS-INDUCING COMPOUNDS THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2001-08-16 WO disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
EP-0482080-B1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS GENENTECH INC (US) 1997-03-26 EP disclosed
EP-0555328-A1 PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1993-08-18 EP disclosed
WO-1992007870-A1 PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1992-05-14 WO disclosed
EP-0482080-A1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS. GENENTECH INC (US) 1992-04-29 EP disclosed
WO-1991001331-A1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1991-02-07 WO disclosed
US-4349683-A ANTICONVULSANTS, ANTIDEPRESSANTS SYNTHELABO (FR) 1982-09-14 US disclosed
US-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 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 (1 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 ALDH1A1 63/4885CYP2C9 152/4885CYP2C19 50/4885

“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.