SCHEMBL29580552

SCHEMBL29580552

CCCCc1ccc(N=CNO)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 1.00
CYP2D6 P10635 6/20 1.00
CYP3A4 P08684 5/20 1.00
CYP4Z1 Q86W10 5/20 1.00
CYP4F11 Q9HBI6 2/20 1.00
CYP4F12 Q9HCS2 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP2C19 P33261 2/20 1.00
SKP2 Q13309 1/20 0.47
CYP19A1 P11511 1/20 0.42
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4269299 1.00 CYP2C9 (1.00) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL4269302 1.00 CYP2C9 (1.00) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL16079472 0.78 CYP3A4 (0.64) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL11420876 0.71 CYP2C9 (0.58) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL1019112 0.71 CYP3A4 (0.55) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL6896659 0.71 CYP3A4 (0.55) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL5720593 0.71 CYP3A4 (0.55) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL5720594 0.71 CYP3A4 (0.55) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL5838115 0.69 SKP2 (0.68) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11
SCHEMBL2475751 0.69 NPC1 (0.62) CYP2C9CYP2D6CYP3A4CYP4Z1CYP4F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120189534-A Research method for influence mechanism of HET0016 on blood brain barrier injury 重庆医科大学附属第二医院 2025-06-24 CN claimed
CN-118161472-A Application of lauric acid inhibitor in preparation of medicines for preventing bacterial meningitis 吉林大学 2024-06-11 CN claimed
CN-116676386-A Application of CYP4F2 and CYP4F11 as ER+ breast cancer diagnosis and treatment targets 南开大学 2023-09-01 CN claimed
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof MBD Co., Ltd. (KR) 2026-04-28 US disclosed
US-12479816-B2 20-HETE formation inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2025-11-25 US disclosed
US-12479821-B2 Quinoline compound and use thereof MBD Co., Ltd. (KR) 2025-11-25 US disclosed
CN-120189534-A Research method for influence mechanism of HET0016 on blood brain barrier injury 重庆医科大学附属第二医院 2025-06-24 CN disclosed
CN-120189534-A Research method for influence mechanism of HET0016 on blood brain barrier injury 重庆医科大学附属第二医院 2025-06-24 CN disclosed
CN-120189534-A Research method for influence mechanism of HET0016 on blood brain barrier injury 重庆医科大学附属第二医院 2025-06-24 CN disclosed
EP-4506344-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF Bebetter Med Inc. (CN) 2025-02-12 EP disclosed
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF BEBETTER MED INC. (CN) 2025-01-30 US disclosed
CN-116676386-A Application of CYP4F2 and CYP4F11 as ER+ breast cancer diagnosis and treatment targets 南开大学 2023-09-01 CN disclosed
CN-116249787-A Treatment of obesity with inhibitors of G protein-coupled receptor 75 (GPR 75) 雷杰纳荣制药公司 2023-06-09 CN disclosed
EP-4168548-A1 TREATMENT OF OBESITY WITH G-PROTEIN COUPLED RECEPTOR 75 (GPR75) INHIBITORS REGENERON PHARMACEUTICALS, INC. (US) 2023-04-26 EP disclosed
US-20220411870-A1 Treatment Of Obesity With G-Protein Coupled Receptor 75 (GPR75) Inhibitors REGENERON PHARMACEUTICALS, INC. 2022-12-29 US disclosed
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF MBD CO., LTD (KR) 2022-12-22 US disclosed
WO-2022235091-A1 NOVEL HETEROCYCLIC COMPOUND AND USE THEREOF 엠비디 주식회사 2022-11-10 WO disclosed
US-20220218726-A1 COMPOSITION COMPRISING CYP4A-INHIBITING COMPOUND AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING METABOLIC DISEASES KOREA BASIC SCIENCE INSTITUTE (KR) 2022-07-14 US disclosed
US-11359246-B2 Treatment of obesity with G-protein coupled receptor 75 (GPR75) inhibitors REGENERON PHARMACEUTICALS, INC. (US) 2022-06-14 US disclosed
US-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 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 (7 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-12479821-B2 Quinoline compound and use thereof CYP4A11, CYP7A1, CYP4B1 CYP2C9 198/4885CYP2D6 87/4885CYP3A4 9/4885
US-20220218726-A1 COMPOSITION COMPRISING CYP4A-INHIBITING COMPOUND AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING METABOLIC DISEASES CYP4A11, CYP46A1, CYP27A1 CYP2C9 79/4885CYP2D6 118/4885CYP3A4 40/4885
US-12612384-B2 Heterocyclic CYP4A inhibitor compounds and compositions thereof CYP4A11, CYP4B1, CYP4A22 CYP2C9 59/4885CYP2D6 41/4885CYP3A4 6/4885
US-20220402890-A1 NOVEL QUINOLINE COMPOUND AND USE THEREOF CYP4A11, CYP4B1, CYP4A22 CYP2C9 194/4885CYP2D6 81/4885CYP3A4 8/4885
US-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 CYP2C9 84/4885CYP2D6 97/4885CYP3A4 9/4885
US-12479816-B2 20-HETE formation inhibitors CYP4A22, ALOX5, ALOX15 CYP2C9 84/4885CYP2D6 97/4885CYP3A4 9/4885
US-20250034116-A1 1,4-DIHETEROCYCLIC SUBSTITUTED AROMATIC RING OR AROMATIC HETEROCYCLIC COMPOUND AND USE THEREOF CYP46A1, CYP4A22, CYP2C19 CYP2C9 35/4885CYP2D6 60/4885CYP3A4 37/4885

“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.