SCHEMBL422166

SCHEMBL422166

COc1ccc2nc(C)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2C19 P33261 2/20 0.67
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
PDK1 Q15118 1/20 0.65
MAPT P10636 3/20 0.62
TSHR P16473 1/20 0.62
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
APP P05067 2/20 0.56
HTT P42858 1/20 0.55
DYRK1A Q13627 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
Iodomethane SCHEMBL4054071 0.96 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL9190961 0.92 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL2170339 0.89 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL13862753 0.86 NPC1 (0.56) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL25250383 0.85 TDP1 (0.55) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
Hydrochlorthiazide SCHEMBL9735331 0.85 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL31276816 0.85 NPC1 (0.55) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL95067 0.85 NPC1 (0.55) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL2172527 0.84 TDP1 (0.57) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1
SCHEMBL19850971 0.84 TDP1 (0.64) CYP1A2CYP3A4CYP2C19TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4441112-A1 METHOD OF UNDERWATER BONDING Henkel AG & Co. KGaA (DE) 2024-10-09 EP claimed
US-20240318052-A1 METHOD OF UNDERWATER BONDING HENKEL AG & CO KGAA (DE) 2024-09-26 US claimed
CN-117447463-A Preparation and application of stable isotope labeled PBB3 compound 深圳鼎邦生物科技有限公司 2024-01-26 CN claimed
WO-2023099777-A1 METHOD OF UNDERWATER BONDING Henkel IP & Holding GmbH (DE) 2023-06-08 WO claimed
CN-113402513-A Stability isotope labeled PM-PBB3 compound and preparation and application methods thereof 深圳鼎邦生物科技有限公司 2021-09-17 CN claimed
CN-109476874-B Two-part cyanoacrylate curable adhesive systems 汉高知识产权控股有限责任公司 2021-04-16 CN claimed
EP-1087952-B1 BENZAZOLE COMPOUNDS AND THEIR USE NOVARTIS AG (CH) 2004-06-02 EP claimed
US-6410578-B1 INSECTICIDE, MITICIES, PESTICIDE NOVARTIS ANIMAL HEALTH US, INC. 2002-06-25 US claimed
EP-1087952-A1 BENZAZOLE COMPOUNDS AND THEIR USE Novartis AG (CH) 2001-04-04 EP claimed
WO-1999065886-A1 BENZAZOLE COMPOUNDS AND THEIR USE NOVARTIS AG (CH) 1999-12-23 WO claimed
EP-0318294-B1 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS (JP) 1994-12-28 EP claimed
EP-0318294-A2 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS CO., LTD (JP) 1989-05-31 EP claimed
JP-4018094-A None JP disclosed
US-12559486-B2 Tau-protein targeting compounds and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-24 US disclosed
US-20250340547-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN NATIONAL INSTITUTES FOR QUANTUM AND RADIOLOGICAL SCIENCE AND TECHNOLOGY (JP) 2025-11-06 US disclosed
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
EP-0383092-A2 Chromogenic merocyanine enzyme substrates Bayer Corporation (US) 1990-08-22 EP disclosed
US-4861897-A 2-Aryloxyalkylaminobenzoxazoles and 2-aryloxyalkylaminobenzothiazoles ORTHO PHARMACEUTICAL CORPORATION (US) 1989-08-29 US disclosed
EP-0318294-A2 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS CO., LTD (JP) 1989-05-31 EP disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 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 (2 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-12559486-B2 Tau-protein targeting compounds and associated methods of use UBQLN2, UBQLN1, CRBN CYP1A2 4771/4885CYP3A4 4658/4885CYP2C19 4854/4885
US-20250340547-A1 NOVEL COMPOUNDS FOR IMAGING TAU PROTEINS THAT ACCUMULATE IN THE BRAIN MAPT, FABP7, HTT CYP1A2 2975/4885CYP3A4 3570/4885CYP2C19 4555/4885

“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.