SCHEMBL535440

SCHEMBL535440

[CH2]COc1ccc(C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.53
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
MMP2 P08253 2/20 0.46
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA1 P00915 1/20 0.45
HRH3 Q9Y5N1 3/20 0.44
CYP2A6 P11509 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TBXAS1 P24557 1/20 0.42

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
SCHEMBL72415 0.82 ALDH1A1 (0.53) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL4707838 0.82 NQO1 (0.47) MAOBMAPTCA2CA9CA1
SCHEMBL2779902 0.80 HRH3 (0.53) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL11784760 0.80 MAOB (0.57) MAOBALDH1A1MAPTMMP2CA2
SCHEMBL7986752 0.80 ALDH1A1 (0.66) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL22645668 0.79 HRH3 (0.54) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL7384498 0.78 HRH3 (0.59) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL5519875 0.78 HRH3 (0.62) MAOBALDH1A1MAPTMMP2HRH3
SCHEMBL28388624 0.77 MMP2 (0.60) ALDH1A1MAPTMMP2HRH3MMP1
SCHEMBL535547 0.77 TBXAS1 (0.49) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer NG RAYMOND 2008-05-22 US claimed
EP-1812406-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
US-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-25 US claimed
WO-2006039215-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO claimed
CN-116969871-A Synthesis method of difluoromethyl seleno ether compound 江苏省原子医学研究所 2023-10-31 CN disclosed
CN-108440251-B Method for photo/nickel concerted catalysis of monoarylation diol 陕西师范大学 2021-01-01 CN disclosed
EP-1812406-B1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2018-09-12 EP disclosed
EP-2058375-B1 Pigment composition, water-based pigment dispersion, method of producing water-based pigment dispersion, water-based ink for ink jet recording, and polymer compound FUJIFILM CORP (JP) 2015-08-19 EP disclosed
US-8586616-B2 Benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-19 US disclosed
US-8247431-B2 Heterocyclic hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-5090994-A HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS AGRO-KANESHO CO., LTD. (JP) 1992-02-25 US disclosed
US-5086071-A Improved chemical stability and ppotent in vivo TORAY INDUSTRIES, INC. (JP) 1992-02-04 US disclosed
EP-0232776-B1 2,5,6,7-TETRANOR-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1990-10-24 EP disclosed
EP-0389162-A1 2,5,6,7-Tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1990-09-26 EP disclosed
EP-0384973-A2 Heterocyclic compounds, method for preparing the same and herbicidal compositions containing the compounds as effective components AGRO-KANESHO CO., LTD. (JP) 1990-09-05 EP disclosed
EP-0365678-A1 2,5,6,7-TETRANOR-4,8-INTER-m-PHENYLENE PGI 2 DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 1990-05-02 EP disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 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 (2 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-20060111402-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) AR, NR5A1, ESRRA MAOB 2549/4885ALDH1A1 752/4885MAPT 2134/4885
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer AR, FSHR, BRDT MAOB 1431/4885ALDH1A1 888/4885MAPT 3096/4885

“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.