SCHEMBL437550

SCHEMBL437550

Cc1ccc2[nH]c(=O)c(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.58
GRIN3B O60391 4/20 0.58
GRIN1 Q05586 4/20 0.58
GRIN2A Q12879 4/20 0.58
GRIN2B Q13224 4/20 0.58
GRIN2C Q14957 4/20 0.58
GRIN3A Q8TCU5 4/20 0.58
KDM4E B2RXH2 2/20 0.56
DAO P14920 2/20 0.55
DDO Q99489 1/20 0.55
HSD17B10 Q99714 2/20 0.54
MAPT P10636 2/20 0.53
TP53 P04637 1/20 0.53
ESR2 Q92731 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
TAS2R14 Q9NYV8 1/20 0.48
NOS1 P29475 2/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48

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
SCHEMBL31236118 1.00 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873322 0.91 DAO (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL172143 0.86 MAPT (0.54) KDM4EMAPTCA12CA9NOS1
SCHEMBL30211032 0.85 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8873683 0.80 KIF11 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3277444 0.76 ALDH1A1 (0.58) KDM4EHSD17B10MAPTALDH1A1
SCHEMBL19451945 0.76 KIF11 (0.42) KDM4EDAOHSD17B10MAPTCA12
SCHEMBL16381141 0.74 DAO (0.68) KDM4EDAODDOHSD17B10MAPT
SCHEMBL15478601 0.74 DAO (0.68) KDM4EDAODDOHSD17B10MAPT
SCHEMBL20792931 0.74 PARP1 (0.56) KDM4EDAODDOHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367103-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2024-05-15 EP disclosed
EP-3573960-B1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2023-08-16 EP disclosed
WO-2023280970-A1 INHIBITORS OF ALPHA-HEMOLYSIN OF STAPHYLOCOCCUS AUREUS Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2023-01-12 WO disclosed
EP-2696873-B1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA US HEALTH (US) 2022-08-03 EP disclosed
WO-2018138362-A1 N-{[2-(PIPERIDIN-1-YL)PHENYL](PHENYL)METHYL}-2-(3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXA ZIN-7-YL)ACETAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ROR-GAMMA MODULATORS FOR TREATING AUTOIMMUNE DISEASES GENFIT (FR) 2018-08-02 WO disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed
EP-2751083-B1 QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2017-12-27 EP disclosed
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-12-15 US disclosed
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS AMURA THERAPEUTICS LTD (GB) 2016-01-21 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-7102000-B2 Heterocyclic amide derivatives for the treatment of diabetes and other diseases INCYTE SAN DIEGO INC. (US) 2006-09-05 US disclosed
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases PFAHL MAGNUS 2006-07-20 US disclosed
US-7071218-B2 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases INCYTE SAN DIEGO INCORPORATED (US) 2006-07-04 US disclosed
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. 2003-11-20 US disclosed
US-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases ORTHO MCNEIL PHARMACEUTICAL INC. (US) 2003-07-31 US disclosed
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia ORTHO MCNEIL PHARMACEUTICAL INC. 2003-05-01 US disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-05-20 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-20030144329-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, CYP46A1, PNLIP GRIN2D 4212/4885GRIN3B 4542/4885GRIN1 4032/4885
US-20060160796-A1 N-substituted heterocycles for the treatment of hypercholesteremia, dyslipidemia and other metabolic disorders; cancer, and other diseases CYP27A1, PC, PNLIP GRIN2D 4206/4885GRIN3B 4509/4885GRIN1 4257/4885
US-20030083357-A1 Oxime derivatives for the treatment of dyslipidemia and hypercholesteremia OAT, CPT1A, CYP27A1 GRIN2D 4715/4885GRIN3B 4610/4885GRIN1 4081/4885
US-20160015685-A1 FURO [3, 2-B] PYRR0L-3-0NES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK GRIN2D 4552/4885GRIN3B 2994/4885GRIN1 2346/4885
US-20160361295-A1 FURO[3, 2-B] PYRR0L-3-ONES AS CATHESPIN S INHIBITORS CTSS, CTSL, CTSK GRIN2D 4515/4885GRIN3B 2457/4885GRIN1 2267/4885
US-20030216432-A1 Heterocyclic amide derivatives for the treatment of diabetes and other diseases GCKR, HDAC5, GPR119 GRIN2D 2177/4885GRIN3B 4211/4885GRIN1 2923/4885

“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.