Sugi Predict

Sugi Predict / Compounds / SCHEMBL4589554

SCHEMBL4589554

SCHEMBL4589554

CC(COC(N)=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ TAAR1 Q96RJ0 2/20 0.48
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALOX5 P09917 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ AOC3 Q16853 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SLC6A3 Q01959 3/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ EDNRB P24530 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MC3R P41968 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
SCHEMBL28958757 1.00 CYP1A2 (0.68) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL4590669 1.00 CYP1A2 (0.68) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL20563823 0.90 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL528539 0.90 CYP1A2 (0.56) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL528806 0.86 SMN1; SMN2 (0.51) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
Carbamic Acid SCHEMBL9001050 0.86 CYP1A2 (0.50) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL1838254 0.85 CYP1A2 (0.47) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL1838251 0.85 CYP1A2 (0.47) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL23360815 0.84 CYP1A2 (0.47) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1
SCHEMBL8095371 0.84 CYP1A2 (0.51) CYP1A2SMN1; SMN2CYP2D6PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410778-B1 — — None — — US disclosed
US-12378204-B2 Triazole compounds and preparation method therefor and use thereof WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2025-08-05 — — US disclosed
CN-115873069-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-03-31 — — CN disclosed
CN-115707711-A Peptide amide compound, pharmaceutically acceptable salt, stereoisomer and application thereof 天地恒一制药股份有限公司 2023-02-21 — — CN disclosed
CN-115707712-A Peptide amide compound, pharmaceutically acceptable salt and stereoisomer thereof, and application thereof 天地恒一制药股份有限公司 2023-02-21 — — CN disclosed
EP-3790596-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF Wave Life Sciences Ltd. (SG) 2021-03-17 — — EP disclosed
EP-3768291-A1 TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS Merck Sharp&Dohme Corp. (US) 2021-01-27 — — EP disclosed
WO-2020023872-A1 USE OF TOLL-LIKE RECEPTOR 2 (TLR-2) AGONIST FOR MODULATING HUMAN IMMUNE RESPONSE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2020-01-30 — — WO disclosed
WO-2019217784-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS OF USE THEREOF WAVE LIFE SCIENCES LTD. (SG) 2019-11-14 — — WO disclosed
WO-2019182942-A1 TYROSINE-SPECIFIC FUNCTIONALIZED INSULIN AND INSULIN ANALOGS MERCK SHARP & DOHME CORP. (US) 2019-09-26 — — WO disclosed
EP-0536936-B1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use SANKYO CO (JP) 1996-08-14 — — EP disclosed
US-5436242-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof for inhibiting blood platelet aggregation SANKYO COMPANY, LIMITED (JP) 1995-07-25 — — US disclosed
US-5288726-A Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation UBE INDUSTRIES LIMITED (JP) 1994-02-22 — — US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 — — EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 — — EP disclosed
US-4497963-A ETHYLENICALLY UNSATURADED POLYMERS BASF AKTIENGESELLSCHAFT (DE) 1985-02-05 — — US disclosed
US-4375000-A Process for the preparation of an aryl mono-, di-, and/or polyurethane BASF AKTIENGESELLSCHAFT (DE) 1983-02-22 — — US disclosed
US-4349484-A Process for the manufacture of mixtures of diphenylmethane diisocyanates and polyphenyl polymethylene polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1982-09-14 — — US disclosed
US-4290970-A Process for the manufacture of aromatic di- and/or polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1981-09-22 — — US disclosed
US-4278805-A FROM AROMATIC AMINE, CARBAMATE AND ALCOHOL; METAL COMPOUND CATALYST BASF AKTIENGESELLSCHAFT (DE) 1981-07-14 — — 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 (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-12378204-B2 Triazole compounds and preparation method therefor and use thereof LPAR1, LPAR3, FFAR1 CYP1A2 1499/4885SMN1; SMN2 2345/4885CYP2D6 2741/4885

“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.