SCHEMBL4251811

SCHEMBL4251811

O=C(Cl)c1cccc(N2CCOCC2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.74
▸ PLOD2 O00469 2/20 0.59
▸ PLOD3 O60568 2/20 0.59
▸ PLOD1 Q02809 2/20 0.59
▸ AKR1C3 P42330 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ PRKDC P78527 2/20 0.52
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ PIK3CG P48736 1/20 0.52
▸ LMNA P02545 2/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ MAPT P10636 4/20 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
SCHEMBL65857 0.85 KMO (1.00) KMOPLOD2PLOD3PLOD1AKR1C3
SCHEMBL30634127 0.85 KMO (1.00) KMOPLOD2PLOD3PLOD1AKR1C3
SCHEMBL303084 0.85 KMO (0.77) KMOPLOD2PLOD3PLOD1AKR1C3
SCHEMBL27746847 0.85 ALDH1A1 (0.72) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL13724478 0.84 KMO (0.74) KMOPLOD2PLOD3PLOD1AKR1C3
Hydrochloric Acid SCHEMBL14742166 0.84 KMO (0.74) KMOPLOD2PLOD3PLOD1AKR1C3
SCHEMBL27767932 0.83 ALDH1A1 (0.70) KMOALDH1A1MEN1KMT2AKDM4E
SCHEMBL4831334 0.83 KMO (0.72) KMOPLOD2PLOD3PLOD1AKR1C3
SCHEMBL31172447 0.81 KMO (0.70) KMOPLOD2PLOD3PLOD1AKR1C3
SCHEMBL1136506 0.81 GSK3B (0.62) KMOAKR1C3ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111936471-B Non-fused thiophene derivatives and uses thereof 埃尼奥制药公司 2024-10-29 — — CN disclosed
US-11840527-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-12-12 — — US disclosed
US-11767316-B2 Non-fused thiophene derivatives and their uses ENYO PHARMA (FR) 2023-09-26 — — US disclosed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 — — CN disclosed
CN-115073471-B Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine 沈阳药科大学 2023-03-21 — — CN disclosed
CN-115073471-A Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine 沈阳药科大学 2022-09-20 — — CN disclosed
CN-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 — — CN disclosed
US-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES Institut National de la Santé et de la Recherche Médicale (FR) 2021-02-11 — — US disclosed
EP-3749649-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 — — EP disclosed
EP-3749650-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES ENYO Pharma (FR) 2020-12-16 — — EP disclosed
EP-1077930-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 — — EP disclosed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 — — EP disclosed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 — — EP disclosed
WO-2000020402-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2000-04-13 — — WO disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 — — WO disclosed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 — — WO disclosed
WO-1999059960-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 — — WO disclosed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 — — WO disclosed
WO-1999054363-A1 NOVEL PHOTOINITIATORS AND APPLICATIONS THEREFOR KIMBERLY-CLARK WORLDWIDE, INC. (US) 1999-10-28 — — WO disclosed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 — — 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 (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-20210040059-A1 NON-FUSED THIOPHENE DERIVATIVES AND THEIR USES FTH1, SLC40A1, FECH KMO 2744/4885PLOD2 3763/4885PLOD3 4577/4885
US-11767316-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH KMO 2744/4885PLOD2 3763/4885PLOD3 4577/4885
US-11840527-B2 Non-fused thiophene derivatives and their uses FTH1, SLC40A1, FECH KMO 2744/4885PLOD2 3763/4885PLOD3 4577/4885

“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.

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