SCHEMBL4135400

SCHEMBL4135400

CCOC(=O)c1cccc([N+](=O)[O-])c1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
GAA P10253 1/20 0.54
TSHR P16473 2/20 0.53
CACNA1C Q13936 2/20 0.52
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 2/20 0.49
POLB P06746 2/20 0.49
GALR2 O43603 1/20 0.49
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL28731066 0.87 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAATSHRCACNA1C
SCHEMBL3481205 0.85 TSHR (0.64) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL1523174 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAATSHRMAPT
Alcohol SCHEMBL27771034 0.84 MEN1 (0.52) THRBALDH1A1SMN1; SMN2GAATSHR
SCHEMBL1611630 0.84 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAATSHRCACNA1C
SCHEMBL11464655 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAATSHRCACNA1C
SCHEMBL9806499 0.83 ALDH1A1 (0.47) THRBALDH1A1SMN1; SMN2GAATSHR
SCHEMBL544309 0.83 MEN1 (0.56) THRBALDH1A1SMN1; SMN2TSHRMAPT
Ethyl Benzoate SCHEMBL27690702 0.83 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2GAACACNA1CCACNA1F
SCHEMBL28657435 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2GAATSHRCACNA1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105814038-B Benzimidazole derivatives as EP4 ligands 拜耳医药股份公司 2018-12-04 CN disclosed
US-9932324-B2 Substituted benzimidazolium compounds useful in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-04-03 US disclosed
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-11 US disclosed
WO-2016113170-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-07-21 WO disclosed
EP-2585454-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS Novartis AG (CH) 2013-05-01 EP disclosed
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2013-04-18 US disclosed
WO-2011161216-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2011-12-29 WO disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1891053-A1 METHOD FOR OBTAINING BENZIMIDAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Quimica Sintetica, S.A. (ES) 2008-02-27 EP disclosed
WO-2006134078-A1 METHOD FOR OBTAINING BENZIMIDAZOLE DERIVATIVES AND INTERMEDIATES THEREOF QUIMICA SINTETICA, S.A. (ES) 2006-12-21 WO disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 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 (4 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 THRB 4182/4885ALDH1A1 2299/4885SMN1; SMN2 2019/4885
US-20180009789-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES F12, CKMT1A; CKMT1B, CHRM1 THRB 1272/4885ALDH1A1 928/4885SMN1; SMN2 530/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 THRB 4182/4885ALDH1A1 2299/4885SMN1; SMN2 2019/4885
US-20130096149-A1 HETEROARYL COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS BRAF, RAF1, ARAF THRB 1444/4885ALDH1A1 3123/4885SMN1; SMN2 4356/4885

“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.