SCHEMBL6169066

SCHEMBL6169066

CCOC(=O)c1ccc2[nH]c(C)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.56
ALDH1A1 P00352 6/20 0.55
RAB9A P51151 6/20 0.55
KDM4E B2RXH2 4/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HPGD P15428 3/20 0.53
HSD17B10 Q99714 3/20 0.53
MAPK1 P28482 2/20 0.53
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 1/20 0.53
PKN1 Q16512 1/20 0.53
PKN2 Q16513 1/20 0.53
MMP2 P08253 1/20 0.52
MMP13 P45452 1/20 0.52
SIRT2 Q8IXJ6 3/20 0.52
SIRT1 Q96EB6 2/20 0.52
SIRT3 Q9NTG7 1/20 0.52

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
SCHEMBL6169071 0.88 PKN1 (0.67) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL11148656 0.86 HCRTR1 (0.53) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL11824061 0.86 SIRT2 (0.56) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL7795891 0.86 HCRTR1 (0.53) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL5032566 0.85 HSP90AA1 (0.53) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL14473811 0.85 ALDH1A1 (0.53) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL12393006 0.85 HRH3 (0.56) HCRTR1ALDH1A1RAB9AKDM4EMAPT
SCHEMBL12393020 0.85 ALDH1A1 (0.54) HCRTR1ALDH1A1RAB9AKDM4EMAPT
Hydrochloric Acid SCHEMBL7324036 0.84 HSP90AA1 (0.51) ALDH1A1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL11249423 0.83 HCRTR1 (0.51) HCRTR1ALDH1A1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810136-A1 OGA INHIBITOR COMPOUNDS Janssen Pharmaceutica NV (BE) 2021-04-28 EP disclosed
US-20210115040-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-04-22 US disclosed
CN-112312908-A OGA inhibitor compounds 詹森药业有限公司 2021-02-02 CN disclosed
WO-2019243528-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives OSI PHARMACEUTICALS, INC. 2002-06-27 US disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6348032-B1 POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. CELL PATHWAYS, INC. 2002-02-19 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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 (3 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-20020082280-A1 Method of inhibiting neoplastic cells with benzimidazole derivatives MKI67, CCNI, TMBIM6 HCRTR1 4347/4885ALDH1A1 487/4885RAB9A 3277/4885
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 HCRTR1 3282/4885ALDH1A1 1503/4885RAB9A 3735/4885
US-20210115040-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN HCRTR1 3392/4885ALDH1A1 3839/4885RAB9A 2809/4885

“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.