SCHEMBL1659697

SCHEMBL1659697

COCOc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.46
CYP2A6 P11509 2/20 0.45
MMP2 P08253 2/20 0.43
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MMP3 P08254 1/20 0.41

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
SCHEMBL1679655 0.94 MMP2 (0.51) MAOBALDH1A1MMP2HPGDHRH3
SCHEMBL11784760 0.86 MAOB (0.57) MAOBALDH1A1MAPTCYP2A6MMP2
SCHEMBL3589633 0.83 NQO1 (0.50) MAOBMAPTMMP2CA1CA2
SCHEMBL13170580 0.82 APP (0.48) MMP2MMP3
SCHEMBL18301590 0.81 MAOB (0.48) MAOBALDH1A1MAPTMAOACYP2A6
SCHEMBL4867346 0.81 MAPT (0.61) MAOBALDH1A1MAPTMAOAMMP2
SCHEMBL17856189 0.80 MMP2 (0.58) MAOBALDH1A1MMP2HPGDHRH3
SCHEMBL4258655 0.80 ESR1 (0.49) MAOBMAPTMAOARAB9A
SCHEMBL4258651 0.80 ESR1 (0.49) MAOBMAPTMAOARAB9A
SCHEMBL6132301 0.79 ALDH1A1 (0.54) MAOBALDH1A1MAPTMMP2HPGD

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-112592352-A Polysubstituted benzothienopyridine compound and preparation method thereof 华南理工大学 2021-04-02 CN disclosed
EP-1905769-B1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2017-03-29 EP disclosed
EP-1810969-B1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES MSD KK (JP) 2013-08-07 EP disclosed
US-20130184462-A1 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 US disclosed
US-20130184462-A1 METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-07-18 US disclosed
CN-101607923-B Aromatic nitrile compounds or derivatives of same and synthetic method and application thereof JIAO NING 2012-12-19 CN disclosed
US-7994331-B2 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2011-08-09 US disclosed
CN-101094847-B Aryloxy-substituted benzimidazole derivatives BANYU PHARMA CO LTD 2011-06-15 CN disclosed
US-7932394-B2 1-{[5-[4-(Methylsulfonyl)phenoxy]-2-(2-pyridinyl)-1H-benzimidazol-6-yl]methyl}-5-thioxo-2-pyrrolidinone;glucokinase activator; antidiabetic agents; obesity; prevention of retinopathy, nephropathy, neurosis, ischemic cardiopathy, arteriosclerosis; antiischemic agents; cardiotonic agents MSD K.K. (JP) 2011-04-26 US disclosed
US-20100087360-A1 Heterocycle-substituted benzimidazole derivative MSD K.K. (JP) 2010-04-08 US disclosed
CN-101607923-A Aromatic nitrile compounds or derivatives thereof and synthetic method thereof and application NING JIAO (CN) 2009-12-23 CN disclosed
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
EP-1905769-A1 HETEROCYCLE-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-02 EP disclosed
CN-101094847-A Aryloxy-substituted benzimidazole derivatives BANYU PHARMA CO LTD (JP) 2007-12-26 CN disclosed
EP-1810969-A1 ARYLOXY-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-07-25 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-20100087360-A1 Heterocycle-substituted benzimidazole derivative GCK, GCKR, HK1 MAOB 2345/4885ALDH1A1 1946/4885MAPT 4648/4885
US-20080125429-A1 Aryloxy-Substituted Benzimidazole Derivatives GCK, GCKR, SLC5A1 MAOB 1422/4885ALDH1A1 1126/4885MAPT 3894/4885

“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.