SCHEMBL224338

SCHEMBL224338

Nc1ccc(-c2ccsc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
CYP2A6 P11509 5/20 0.58
CYP2B6 P20813 3/20 0.58
CYP2E1 P05181 2/20 0.58
CYP3A4 P08684 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
BACE1 P56817 1/20 0.47
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
TAAR1 Q96RJ0 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IMPDH2 P12268 1/20 0.44
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
CHEK2 O96017 1/20 0.43
TDO2 P48775 1/20 0.42
APP P05067 1/20 0.42

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
SCHEMBL14465263 0.88 ALDH1A1 (0.54) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL27989815 0.87 CYP2A6 (0.74) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL2125063 0.81 CYP2A6 (0.72) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL29161355 0.79 BACE1 (0.60) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL24106775 0.77 CYP2A6 (0.95) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL3997707 0.76
SCHEMBL4693782 0.75 CYP2A6 (0.58) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL6295431 0.75 CYP2A6 (0.58) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL24164402 0.75 CYP2A6 (0.58) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4
SCHEMBL1310381 0.75 CYP2A6 (0.58) KCNH2CYP2A6CYP2B6CYP2E1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117509675-B Iron-based Prussian blue with low crystal water content, and preparation method and application thereof 武汉中科先进材料科技有限公司 2024-04-30 CN claimed
CN-117509675-A Iron-based Prussian blue with low crystal water content, and preparation method and application thereof 武汉中科先进材料科技有限公司 2024-02-06 CN claimed
CN-101356173-A Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH (DE) 2009-01-28 CN claimed
EP-1957487-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES AEterna Zentaris GmbH (DE) 2008-08-20 EP claimed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US claimed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO claimed
EP-4741383-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2026-05-13 EP disclosed
US-12559495-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2026-02-24 US disclosed
WO-2025011480-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG 泰励生物科技(上海)有限公司 2025-01-16 WO disclosed
CN-117509675-B Iron-based Prussian blue with low crystal water content, and preparation method and application thereof 武汉中科先进材料科技有限公司 2024-04-30 CN disclosed
CN-117509675-A Iron-based Prussian blue with low crystal water content, and preparation method and application thereof 武汉中科先进材料科技有限公司 2024-02-06 CN disclosed
US-11708450-B2 Composition for forming metallic luster film, metallic luster film, and article FUJIFILM BUSINESS INNOVATION CORP. (JP) 2023-07-25 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20080015192-A1 INHIBITORS OF POLO-LIKE KINASES ABBVIE INC. 2008-01-17 US disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
US-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ZENTARIS GMBH (DE) 2007-06-28 US disclosed
WO-2007054556-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES ÆTERNA ZENTARIS GMBH (DE) 2007-05-18 WO disclosed
US-20060229295-A1 Amide derivatives ASTELLAS PHARMA INC.AND RATIONAL DRUG DESIGN (JP) 2006-10-12 US disclosed
EP-1652843-A1 AMIDE DERIVATIVES Astellas Pharma Inc. (JP) 2006-05-03 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 (5 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-20070149484-A1 NOVEL PYRIDOPYRAZINES AND THEIR USE AS MODULATORS OF KINASES MAP4K2, MAP3K15, MAP3K5 KCNH2 1766/4885CYP2A6 3336/4885CYP2B6 2536/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 KCNH2 2919/4885CYP2A6 527/4885CYP2B6 371/4885
US-20060229295-A1 Amide derivatives VAC14, HDAC8, ZC3HAV1 KCNH2 779/4885CYP2A6 3506/4885CYP2B6 3965/4885
US-20080015192-A1 INHIBITORS OF POLO-LIKE KINASES PLK1, PLK2, BUB1B KCNH2 4016/4885CYP2A6 4686/4885CYP2B6 4719/4885
US-12559495-B2 Purine diones as Wnt pathway modulators WNT1, CTNND1, WNT3A KCNH2 692/4885CYP2A6 896/4885CYP2B6 711/4885

“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.