SCHEMBL712949

SCHEMBL712949

Cc1ccccc1-c1ccc(CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TSHR P16473 2/20 0.46
TRPA1 O75762 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HTR7 P34969 2/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
MME P08473 1/20 0.40
ENPP3 O14638 1/20 0.40
ENPP1 P22413 1/20 0.40
MGLL Q99685 1/20 0.40
MCL1 Q07820 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Formic Acid SCHEMBL28479996 0.89 CA12 (0.44) CA12CA1CA2CA9TSHR
SCHEMBL10892045 0.84 ALDH1A1 (0.57) TSHRTRPA1ALDH1A1CES2CES1
SCHEMBL3633054 0.82 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL29551674 0.82 CA12 (0.61) CA12CA1CA2CA9TSHR
SCHEMBL8188945 0.81 HDAC8 (0.50) CA12CA1CA2CA9TSHR
SCHEMBL9817061 0.81 CA12 (0.48) CA12CA1CA2CA9ALDH1A1
SCHEMBL9023806 0.80 ALDH1A1 (0.59) TSHRTRPA1ALDH1A1PPARGPPARA
SCHEMBL4541662 0.79 CA12 (0.59) CA12CA1CA2CA9TSHR
SCHEMBL29551646 0.79 CA12 (0.59) CA12CA1CA2CA9TSHR
SCHEMBL11280987 0.79 CA12 (0.47) CA12CA1CA2CA9TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
US-8691999-B2 Process for the preparation of telmisartan CIPLA LIMITED (IN) 2014-04-08 US disclosed
US-8445693-B2 Catalyzed carbonylation in the synthesis of angiotensin II antagonists LEK PHARMACEUTICALS D.D. (SI) 2013-05-21 US disclosed
US-8410285-B2 2′-halobiphenyl-4-yl intermediates in the synthesis of angiotensin II antagonists LEK PHARMACEUTICALS D.D. (SI) 2013-04-02 US disclosed
US-8124617-B2 Imidazopyridine compounds TAKEDA SAN DIEGO, INC. (US) 2012-02-28 US disclosed
US-20110105539-A1 2'-HALOBIPHENYL-4-YL INTERMEDIATES IN THE SYNTHESIS OF ANGIOTENSIN II ANTAGONISTS LEK PHARMACEUTICALS D.D. (SI) 2011-05-05 US disclosed
US-20110098329-A1 CATALYZED CARBONYLATION IN THE SYNTHESIS OF ANGIOTENSIN II ANTAGONISTS LEK PHARMACEUTICALS D.D. (SI) 2011-04-28 US disclosed
US-7884214-B2 Condensing 4-Methyl-2-n-propyl-1H-benzimidazole-6-carboxylic acid with N-Methyl-O-phenylenediamine dihydrochloride to yields 4-methyl-6 (1-methyl benzimidazol-2-yl)-2-n-propyl 1H-benzimidazole, treating intermediate with 4'-(bromomethyl)-2-biphenyl-2-carboxylate in presence of a base, salt formation MATRIX LABORATORIES LIMITED (IN) 2011-02-08 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20090209603-A1 Olmesartan medoxomil with reduced levels of impurities HEDVATI LILACH 2009-08-20 US disclosed
US-7563814-B2 Olmesartan medoxomil with reduced levels of impurities TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-07-21 US disclosed
US-20090124814-A1 Process for preparing telmisartan PERLMAN NURIT 2009-05-14 US disclosed
US-7501448-B2 Process for preparing telmisartan TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2009-03-10 US disclosed
US-20090023932-A1 Process for the Preparation of Telmisartan MATRIX LABORATORIES LTD (IN) 2009-01-22 US disclosed
EP-1940837-A2 IMIDAZOPYRIDINE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2008-07-09 EP disclosed
US-20080015359-A1 Process for the Preparation of Telmisartan CIPLA LIMITED (IN) 2008-01-17 US disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
WO-1991013063-A1 NEW BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING THEM AND THEIR PHARMACEUTICAL USE SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1991-09-05 WO disclosed
EP-0392317-A2 Benzimidazoles, drugs containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-10-17 EP 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 (8 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 CA12 1613/4885CA1 1237/4885CA2 356/4885
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK CA12 2801/4885CA1 2471/4885CA2 616/4885
US-20110105539-A1 2'-HALOBIPHENYL-4-YL INTERMEDIATES IN THE SYNTHESIS OF ANGIOTENSIN II ANTAGONISTS ACE2, B2M, AGTR2 CA12 1029/4885CA1 306/4885CA2 41/4885
US-20090023932-A1 Process for the Preparation of Telmisartan ACE, ACE2, AGT CA12 2033/4885CA1 3166/4885CA2 608/4885
US-20090124814-A1 Process for preparing telmisartan AGT, ACE, REN CA12 4377/4885CA1 4490/4885CA2 3413/4885
US-20080015359-A1 Process for the Preparation of Telmisartan REN, ACE, AGT CA12 2835/4885CA1 3807/4885CA2 772/4885
US-20110098329-A1 CATALYZED CARBONYLATION IN THE SYNTHESIS OF ANGIOTENSIN II ANTAGONISTS AGT, AGTR2, AGTR1 CA12 223/4885CA1 78/4885CA2 17/4885
US-20090209603-A1 Olmesartan medoxomil with reduced levels of impurities O60361, ADRB1, ADRM1 CA12 4029/4885CA1 4769/4885CA2 3376/4885

“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.