SCHEMBL434461

SCHEMBL434461

[c]1c[nH]c(-c2ncc[nH]2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.42
MTOR P42345 1/20 0.42
ADK P55263 1/20 0.42
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SMPD3 Q9NY59 1/20 0.33
IDO1 P14902 1/20 0.33
ADRA2A P08913 2/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL81650 0.78 NISCH (0.59) NISCHMTORADKPDE4APDE4B
SCHEMBL28425230 0.75 NISCH (0.56) NISCHMTORADKPDE4APDE4B
Hydrochloric Acid SCHEMBL1536214 0.75 NISCH (0.56) NISCHMTORADKPDE4APDE4B
SCHEMBL4108846 0.68 NISCH (0.41) NISCHMTORADKPDE4APDE4B
SCHEMBL10692386 0.67 NISCH (0.46) NISCHMTORADKPDE4APDE4B
SCHEMBL20357190 0.67 NISCH (0.39) NISCHMTORADKPDE4APDE4B
SCHEMBL12131223 0.67 NISCH (0.43) NISCHMTORADKPDE4APDE4B
SCHEMBL9900117 0.65 NISCH (0.38) NISCHMTORADKPDE4APDE4B
SCHEMBL2653482 0.65 KDM4E (0.48) MTORALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL29040730 0.65 ALDH1A1 (0.42) NISCHMTORADKPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766672-B1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 2000-10-04 EP claimed
US-5981537-A USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE PHARMACIA & UPJOHN COMPANY (US) 1999-11-09 US claimed
CN-114685331-B Process for producing 1, 2-dithioethane compound 华南理工大学 2024-07-09 CN disclosed
EP-4366717-A1 BROAD-SPECTRUM ANTIVIRAL DRUGS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-05-15 EP disclosed
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2024-04-16 US disclosed
CN-114685425-B Preparation method of thiacrown ether compound 广州自远生物科技有限公司 2024-02-27 CN disclosed
WO-2024039250-A1 METHANOGEN INHIBITORS PASTORAL GREENHOUSE GAS RESEARCH LIMITED (NZ) 2024-02-22 WO disclosed
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
US-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases VIVORYON THERAPEUTICS N.V. (DE) 2023-04-20 US disclosed
WO-2023281063-A1 BROAD-SPECTRUM ANTIVIRAL DRUGS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2023-01-12 WO disclosed
CN-115197046-A Halogenation method of unsaturated hydrocarbon 华南理工大学 2022-10-18 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
US-20060189645-A1 Novel 6-phenylphenantridines ALTANA PHARMA AG (DE) 2006-08-24 US disclosed
US-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 US disclosed
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED 2004-08-19 US disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 US disclosed
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-10-09 US disclosed
US-5410052-A Useful for extraction of ligand such as molecular oxygen from fluid environment and for release of such ligand THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-04-25 US disclosed
US-4959135-A OXYGEN AQUANAUTICS CORPORATION (US) 1990-09-25 US disclosed
WO-1988006641-A1 POLYALKYLAMINE COMPLEXES FOR LIGAND EXTRACTION AND GENERATION AQUANAUTICS CORPORATION (US) 1988-09-07 WO 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 (6 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-20230122243-A1 Heteroaromatic inhibitors of astacin proteinases BMP1, DPEP1, MEP1A NISCH 2297/4885MTOR 3952/4885ADK 3974/4885
US-11958871-B2 Inhibitors of bacterial glutaminyl cyclases for use in the treatment of periodontal and related diseases GMPS, GLS, QPCT NISCH 4311/4885MTOR 2934/4885ADK 1705/4885
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP NISCH 1401/4885MTOR 3508/4885ADK 1691/4885
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 NISCH 2148/4885MTOR 2130/4885ADK 219/4885
US-20060189645-A1 Novel 6-phenylphenantridines PDE4B, PDE4A, PDE4D NISCH 2355/4885MTOR 4277/4885ADK 1703/4885
US-20040162318-A1 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases BBOX1, HAVCR2, CYP2E1 NISCH 41/4885MTOR 2557/4885ADK 4437/4885

“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.