SCHEMBL1720148

SCHEMBL1720148

NC(=O)c1cccc2c1OCO2

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.54
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP11B1 P15538 5/20 0.47
CYP11B2 P19099 5/20 0.47
SYK P43405 1/20 0.46
TRPA1 O75762 2/20 0.45
CHEK1 O14757 1/20 0.44
CHEK2 O96017 1/20 0.44
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL29625406 1.00 PARP1 (0.54) PARP1NPC1RAB9ACYP11B1CYP11B2
SCHEMBL23079145 0.85 GSK3B (0.42) PARP1CHEK1CHEK2POLBMAPK1
SCHEMBL1520075 0.85 PARP1 (0.64) PARP1CYP11B1CYP11B2TRPA1CHEK2
SCHEMBL6206600 0.85 ABCG2 (0.44) POLBMAPK1KDM4EALDH1A1LMNA
SCHEMBL30457603 0.84 MAOB (0.42) PARP1POLBMAPK1KDM4EALDH1A1
SCHEMBL30456847 0.84 MAOB (0.42) PARP1POLBMAPK1KDM4EALDH1A1
SCHEMBL340702 0.83 KDM4C (0.52) POLBMAPK1KDM4EALDH1A1LMNA
SCHEMBL29442138 0.83 KDM4C (0.52) POLBMAPK1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9236405 0.81 KDM4C (0.51) POLBMAPK1KDM4EALDH1A1LMNA
SCHEMBL340356 0.81 KDM4E (0.44) NPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN claimed
CN-109195965-A The inhibitor that WDR5 protein-protein combines 普罗佩纶治疗公司 2019-01-11 CN claimed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
CN-114401952-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-04-26 CN disclosed
CN-113912617-A Substituted tricycles and methods of use 艾伯维公司 2022-01-11 CN disclosed
CN-113845439-A Bibenzamide CXCR4 antagonist and preparation and application thereof 杭州师范大学 2021-12-28 CN disclosed
CN-108349930-B Substituted tricycles and methods of use 艾伯维公司 2021-10-29 CN disclosed
CN-112218850-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-12 CN disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 US disclosed
WO-2006094633-A1 1- SULFONYL-PI PERDINE- 3 -CARBOXYL I C ACID AMIDE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE FOR THE TREATMENT OF TYPE II DIABETES MELLITUS F. HOFFMAN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 US disclosed
WO-2004065389-A1 PYRROLOPYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF MULTIDRUG RESISTANCE XENOVA LIMITED (GB) 2004-08-05 WO disclosed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 WO 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 PARP1 4324/4885NPC1 234/4885RAB9A 1672/4885
US-20060223852-A1 Pyrazoles GPR119, PDK2, PC PARP1 3617/4885NPC1 889/4885RAB9A 1873/4885

“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.