SCHEMBL649501

SCHEMBL649501

Oc1ccccc1-c1ccsc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
BCL2L1 Q07817 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP2A6 P11509 2/20 0.52
CYP2B6 P20813 2/20 0.52
CYP2E1 P05181 1/20 0.52
TMIGD3 P0DMS9 2/20 0.49
ADORA2A P29274 2/20 0.49
ADORA1 P30542 2/20 0.49
PELI1 Q96FA3 2/20 0.47
PTPRC P08575 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ESR2 Q92731 1/20 0.41
MAOB P27338 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL30870502 0.98 ALDH1A1 (0.52) ALDH1A1HPGDBCL2L1HSD17B10CYP2A6
SCHEMBL28764322 0.98 ALDH1A1 (0.52) ALDH1A1HPGDBCL2L1HSD17B10CYP2A6
SCHEMBL4946960 0.84 CYP2A6 (0.64) CYP2A6CYP2B6CYP2E1TMIGD3ADORA2A
SCHEMBL277051 0.82 PELI1 (0.50) ALDH1A1HPGDBCL2L1HSD17B10CYP2A6
SCHEMBL21944859 0.80 TMIGD3 (0.48) CYP2A6CYP2B6CYP2E1TMIGD3ADORA2A
SCHEMBL7058734 0.77 CYP2A6 (0.70) ALDH1A1HPGDBCL2L1HSD17B10CYP2A6
SCHEMBL6067849 0.77 PELI1 (0.53) CYP2A6CYP2B6CYP2E1TMIGD3ADORA2A
SCHEMBL23288090 0.77 CASP3 (0.65) ALDH1A1HPGDHSD17B10TMIGD3ADORA2A
SCHEMBL3181535 0.76 CYP2A6 (0.54) CYP2A6CYP2B6CYP2E1TMIGD3ADORA2A
SCHEMBL27870289 0.76 CYP2A6 (0.67) ALDH1A1HPGDBCL2L1HSD17B10CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119736677-A Cyanide-free gold solution and preparation method and application thereof 深圳市联合蓝海应用材料科技股份有限公司 2025-04-01 CN claimed
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2026-02-05 US disclosed
US-20260028347-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2026-01-29 US disclosed
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-10-31 US disclosed
CN-118165002-A Polycyclic compounds and methods of use thereof 桑诺维恩药品公司 2024-06-11 CN disclosed
US-20240132509-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2024-04-25 US disclosed
EP-3252057-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
CN-114014790-A Synthesis method of selenide/thioether compound and synthesized compound 西安交通大学 2022-02-08 CN disclosed
EP-1421078-B1 INDOLE DERIVATIVES AS BETA-3 ADRENERGIC AGONISTS FOR THE TREATMENT OF TYPE 2 DIABETES LILLY CO ELI (US) 2006-09-27 EP disclosed
US-20050080110-A1 Beta 3 adrenergic agonists SALL DANIEL JON (US) 2005-04-14 US disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 US disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN disclosed
EP-1426365-A1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME Sankyo Agro Company, Limited (JP) 2004-06-09 EP disclosed
EP-1421078-A1 BETA-3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2004-05-26 EP disclosed
WO-2003016307-A1 β3 ADRENERGIC AGONISTS ELI LILLY AND COMPANY (US) 2003-02-27 WO disclosed
US-5466830-A Preparation from a phenol and 4-dialkoxy-2-butynoic acid ester AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-14 US disclosed
US-5336687-A For treating osteoporosis AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed
EP-0455471-A2 Improved chemiluminescent reagents and methods Hitachi Chemical Co., Ltd. (JP) 1991-11-06 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 (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-20260028347-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 1288/4885HPGD 1145/4885BCL2L1 872/4885
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALDH1A1 919/4885HPGD 757/4885BCL2L1 1860/4885
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT ALDH1A1 919/4885HPGD 757/4885BCL2L1 1860/4885
US-20240132509-A1 HETEROCYCLIC AND HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HCN3, TRPV1 ALDH1A1 3961/4885HPGD 619/4885BCL2L1 1623/4885
US-20050080110-A1 Beta 3 adrenergic agonists ADRB3, ADRB2, ADRB1 ALDH1A1 396/4885HPGD 1750/4885BCL2L1 2882/4885
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SLC6A3, SLC6A11, SLC6A13 ALDH1A1 1362/4885HPGD 2377/4885BCL2L1 4426/4885
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 ALDH1A1 762/4885HPGD 1885/4885BCL2L1 240/4885

“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.