SCHEMBL5776887

SCHEMBL5776887

CN1CCc2nc(C=O)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
F10 P00742 8/20 0.38
KDM4E B2RXH2 4/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.37
RAD52 P43351 2/20 0.36
RECQL P46063 1/20 0.36
ALOX15 P16050 1/20 0.36
OGA O60502 1/20 0.36

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
SCHEMBL14817814 0.86 GRM5 (0.32) GRM5
SCHEMBL24253345 0.81 GRM5 (0.45) GRM5NPC1RAB9ACYP2C19CYP1A2
SCHEMBL30916103 0.77 RAD52 (0.41) GRM5NPC1RAB9AKDM4EKMT2A
SCHEMBL5779792 0.76 GRM5 (0.42) GRM5NPC1RAB9A
SCHEMBL8051769 0.75 GRM5 (0.51) GRM5NPC1RAB9ACYP2C19CYP1A2
SCHEMBL209848 0.75 GRM5 (0.51) GRM5NPC1RAB9ACYP2C19CYP1A2
SCHEMBL3007282 0.74 GRM5 (0.45) GRM5NPC1RAB9ACYP2C19CYP1A2
SCHEMBL25796522 0.74 GRM5 (0.45) GRM5NPC1RAB9ACYP2C19CYP1A2
SCHEMBL13019235 0.74 GRM5 (0.50) GRM5NPC1RAB9ACYP2C19CYP1A2
SCHEMBL19454341 0.74 GRM5 (0.50) GRM5NPC1RAB9ACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN claimed
CN-111936475-B Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2024-05-10 CN disclosed
WO-2022103239-A1 PREPARATION METHOD FOR EDOXABAN TOSYLATE OR HYDRATE THEREOF 보령제약 주식회사 2022-05-19 WO disclosed
EP-2266991-B1 Process for producing thiazole derivative DAIICHI SANKYO CO LTD (JP) 2018-07-11 EP disclosed
EP-2602242-B1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO CO LTD (JP) 2017-08-23 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
EP-2266991-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
EP-2266992-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
US-7547786-B2 5-Methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid; intermediate for compound which exhibits an inhibitory action on an activated coagulation factor X, and which is thus useful as a preventive/therapeutic drug for thrombus-related diseases DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-06-16 US disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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 (1 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-20060276433-A1 Hydrazone derivative APP, PRNP, HTT GRM5 1561/4885NPC1 952/4885RAB9A 3127/4885

“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.