SCHEMBL165608

SCHEMBL165608

COC(=O)c1cc(F)ccc1N

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
KDM4E B2RXH2 6/20 0.62
GAA P10253 5/20 0.62
HSD17B10 Q99714 3/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 3/20 0.62
TSHR P16473 2/20 0.62
ALOX15 P16050 1/20 0.62
KEAP1 Q14145 1/20 0.61
CFTR P13569 3/20 0.56
GLA P06280 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
ATM Q13315 1/20 0.51
ABL1 P00519 1/20 0.50
IKBKB O14920 1/20 0.49
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
FADS1 O60427 1/20 0.47
CYP1A2 P05177 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
SCHEMBL1015993 0.86 KDM4E (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29481401 0.86 KDM4E (0.55) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL1035480 0.85 ALDH1A1 (0.66) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL29543806 0.85 KDM4E (0.54) ALDH1A1KDM4EGAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL7729822 0.84 ALDH1A1 (0.64) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL12846981 0.82 ALDH1A1 (0.82) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL21798946 0.82 ALDH1A1 (0.51) ALDH1A1KDM4EGAAHSD17B10MAPT
Hydrochloric Acid SCHEMBL2454106 0.82 BRAF (0.57) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL2708451 0.82 SLC6A4 (0.51) ALDH1A1KDM4EGAAHSD17B10MAPT
SCHEMBL30301996 0.82 SLC6A4 (0.51) ALDH1A1KDM4EGAAHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115490643-A Method for synthesizing 3-dichlorophenyl-6-fluoro-2, 4 (1H, 3H) -quinazolinedione by one-pot method 南京合创药业有限公司 2022-12-20 CN claimed
CN-112939802-A Ferulic acid amide derivative, and synthesis method and application thereof 张利辉 2021-06-11 CN claimed
CN-106349092-B Synthesis method of 2-amino-5-fluorobenzoic acid methyl ester 泰州祥泰康华医药科技有限公司 2018-07-03 CN claimed
CN-106349092-A Synthesis method of 2-amino-5-fluorobenzoicacid methyl ester 叶芳 2017-01-25 CN claimed
JP-8325240-A None JP disclosed
WO-2026104681-A1 NEW SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-05-21 WO disclosed
EP-4743465-A1 BICYCLIC MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
CN-121779224-A Preparation method of 5-fluoro-2-iodobenzoic acid 安庆双启医药科技有限公司 2026-04-03 CN disclosed
CN-120117999-A Fluorotranilast derivatives and medical application thereof 中国药科大学 2025-06-10 CN disclosed
US-20250136568-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS NANJING ZENSHINE PHARMACEUTICALS CO., LTD. (CN) 2025-05-01 US disclosed
WO-2025040167-A1 PHOSPHOINOSITIDE 3-KINASE ALLOSTERIC INHIBITOR FOR TREATING DISEASE RELATED TO PI3K REGULATION 上海艾力斯医药科技股份有限公司 2025-02-27 WO disclosed
WO-2025023769-A1 NOVEL SYNTHESIS METHOD OF 18F-RUCAPARIB 고려대학교 산학협력단 2025-01-30 WO disclosed
EP-0647615-B1 Process for the preparation of 5-fluoroanthranilic acid alkyl esters and or 5-fluoroanthranilic acid HOECHST AG (DE) 1997-05-28 EP disclosed
JP-H08325240-A SUBSTITUTED 3-ARYLQUINAZOLINE-2,4-DIONE HOECHST AG 1996-12-10 JP disclosed
EP-0742213-A1 Process for the preparation of substituted 3-arylquinazolin-2,4-diones HOECHST AKTIENGESELLSCHAFT (DE) 1996-11-13 EP disclosed
US-5543550-A NITRATING ALKYL ESTER OF 3-FLUOROBENZOIC ACID DISSOLVED IN SOLVENT-FREE SULFURIC ACID, THEN ADDING WATER, SEPARATION, HYDROLYSIS, PRESSURIZED CATALYTIC HYDROGENATION OF THE NITRATED ACID HOECHST AKTIENGESELLSCHAFT (DE) 1996-08-06 US disclosed
EP-0647615-A1 Process for the preparation of 5-fluoroanthranilic acid alkyl esters and or 5-fluoroanthranilic acid HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-12 EP disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed
US-4233305-A ANALGESICS ROUSSEL UCLAF (FR) 1980-11-11 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-20250136568-A1 FUSED HETEROCYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS PIK3CA, PIK3CD, PIK3CB ALDH1A1 1605/4885KDM4E 1884/4885GAA 143/4885

“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.