SCHEMBL8469595

SCHEMBL8469595

Cc1ccc2c(c1)OCN2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
MMP12 P39900 1/20 0.41
EPHX2 P34913 1/20 0.38
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
MAPKAPK5 Q8IW41 1/20 0.36
CYP1A2 P05177 2/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
PGR P06401 1/20 0.33
ADRA2A P08913 1/20 0.33

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
SCHEMBL8348569 0.83 HSD17B10 (0.67) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL169808 0.80 ALDH1A1 (0.73) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL30436962 0.80 ALDH1A1 (0.73) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL18473107 0.78 GAA (0.47) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL8267672 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL29429217 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL29429215 0.77 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL16541197 0.76 ALDH1A1 (0.57) ALDH1A1MAPTHSD17B10GAAMMP12
SCHEMBL8470014 0.75 CYP3A4 (0.47) CYP3A4BRD4CREBBP
SCHEMBL8469136 0.75 AHR (0.41) MAP2K4ADRA2AHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10113049-B2 Thermoplastic resin composition NIPPON NYUKAZAI CO., LTD. (JP) 2018-10-30 US disclosed
US-9695168-B2 Substituted imidazo[1,5-α]pyridines and imidazo[1,5-α]pyrazines as LSD1 inhibitors INCYTE CORPORATION (US) 2017-07-04 US disclosed
WO-2017040993-A1 SMALL MOLECULE INHIBITORS OF DYRK1A AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-03-09 WO disclosed
US-9550786-B2 4-fluoropiperidine orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
EP-2922840-B1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
WO-2016007731-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION (US) 2016-01-14 WO disclosed
US-20160009712-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS INCYTE CORPORATION 2016-01-14 US disclosed
US-20150329698-A1 THERMOPLASTIC RESIN COMPOSITION NIPPON NYUKAZAI CO., LTD. (JP) 2015-11-19 US disclosed
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-11-12 US disclosed
US-8889674-B2 Piperidine and pyrrolidine derivatives having NPY Y5 receptor antagonism SHIONOGI & CO., LTD. (JP) 2014-11-18 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
EP-0804428-B1 BIS-SULFONAMIDE HYDROXYETHYLAMINO RETROVIRAL PROTEASE INHIBITORS SEARLE LLC (US) 2007-12-26 EP disclosed
US-5968725-A MATERIAL COMPRISING ON SUPPORT SILVER HALIDE PHOTOSENSITIVE LAYER CONTAINING ORGANIC SILVER SALT, REDUCING AGENT, ULTRAHIGH CONTRAST PROMOTING AGENT, SELECTED HETEROCYCLIC MERCAPTO COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1999-10-19 US disclosed
US-5236807-A Negative, hydrazine compound FUJI PHOTO FILM CO., LTD. (JP) 1993-08-17 US disclosed
US-4769316-A Method for restraining the formation of re-reversal negative image in direct positive silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1988-09-06 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 (6 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 ALDH1A1 1055/4885MAPT 1450/4885HSD17B10 1281/4885
US-20160009712-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRAZINES AS LSD1 INHIBITORS KDM5A, KDM1A, KDM1B ALDH1A1 202/4885MAPT 2883/4885HSD17B10 1837/4885
US-20150322074-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY4R ALDH1A1 2621/4885MAPT 800/4885HSD17B10 2645/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4801/4885MAPT 3211/4885HSD17B10 2971/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4801/4885MAPT 3211/4885HSD17B10 2971/4885
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R ALDH1A1 3975/4885MAPT 4471/4885HSD17B10 3473/4885

“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.