SCHEMBL178500

SCHEMBL178500

CNC(C)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CASR P41180 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
SLC6A4 P31645 1/20 0.49
LTC4S Q16873 2/20 0.48
SSTR4 P31391 1/20 0.47

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
SCHEMBL1253481 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL1252229 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL31085545 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL12871845 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL15540540 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL19286310 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL1331699 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
Hydrochloric Acid SCHEMBL607851 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL25453200 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CASR
SCHEMBL29254110 0.82 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336887-B Benzimidazole chiral heterocyclic compound and preparation method and application thereof 中山大学 2021-12-17 CN claimed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP claimed
WO-2024137764-A1 NOVEL COVALENT INHIBITORS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2024-06-27 WO disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2023114379-A1 PLPRO INHIBITORS HUAHAI US INC. (US) 2023-06-22 WO disclosed
CN-110862324-B Direct synthesis method of chiral secondary amine compound 西北农林科技大学 2023-01-31 CN disclosed
US-20230015617-A1 PHTHALAZINONE DERIVATIVES KUDOS PHARMACEUTICALS LIMITED (GB) 2023-01-19 US disclosed
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
CN-109336887-B Benzimidazole chiral heterocyclic compound and preparation method and application thereof 中山大学 2021-12-17 CN disclosed
US-11160803-B2 Phthalazinone derivatives KUDOS PHARMACEUTICALS LIMITED (GB) 2021-11-02 US disclosed
US-5106866-A Skin disorders KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-04-21 US disclosed
US-5089046-A Herbicides or miticide SANDOZ LTD. (CH) 1992-02-18 US disclosed
US-5021458-A Amine derivatives and fungicides containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-06-04 US disclosed
EP-0164697-B1 AMINE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND FUNGICIDES CONTAINING THE SAME Kaken Pharmaceutical Co., Ltd. (JP) 1990-11-07 EP disclosed
US-4871735-A HYPOTENSIVE, ANTIISCHEMIC AGENTS DR. KARL THOMAE GMBH 1989-10-03 US disclosed
EP-0164697-A2 Amine derivatives, processes for preparing the same and fungicides containing the same Kaken Pharmaceutical Co., Ltd. (JP) 1985-12-18 EP disclosed
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP disclosed
US-4403096-A Optically active imidazolidin-2-one derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-09-06 US disclosed
EP-0044158-A1 Novel optically active imidazolidin-2-one derivatives and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 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 (4 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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC ALDH1A1 1245/4885CYP1A2 734/4885CYP2C9 848/4885
US-11160803-B2 Phthalazinone derivatives NR0B1, NR0B2, NR2E1 ALDH1A1 1678/4885CYP1A2 542/4885CYP2C9 1357/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 ALDH1A1 1311/4885CYP1A2 4381/4885CYP2C9 3706/4885
US-20230015617-A1 PHTHALAZINONE DERIVATIVES NR0B1, NR0B2, NR2E1 ALDH1A1 1599/4885CYP1A2 548/4885CYP2C9 1361/4885

“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.