SCHEMBL221909

SCHEMBL221909

COc1[c]cc(Cl)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3336691 0.82 MAPT (0.31) ALDH1A1MAPT
SCHEMBL29134461 0.80
SCHEMBL2342052 0.80
SCHEMBL3340143 0.79 FFAR4 (0.32)
SCHEMBL2347534 0.77
SCHEMBL11219131 0.77 AHR (0.43) ALDH1A1NPC1MAPTRAB9A
SCHEMBL16858738 0.76 KMT2A (0.35) ALDH1A1NPC1MAPTRAB9A
SCHEMBL8037350 0.74 KDM4E (0.31) ALDH1A1
SCHEMBL15067557 0.73 CA1 (0.37)
SCHEMBL17529622 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217055-B2 Pyrido-pyrazine derivatives useful as herbicidal compounds SYNGENTA CROP PROTECTION LLC (US) 2012-07-10 US claimed
EP-1909910-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019416-A1 BENZIMIDAZOLE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
US-20070037810-A1 Sirtuin modulating compounds SIRTIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
EP-0062236-B1 USE OF TRIAZOLE DERIVATIVES FOR COMBATING FUNGI BASF Aktiengesellschaft (DE) 1991-09-04 EP claimed
EP-0062236-A2 Use of triazole derivatives for combating fungi BASF Aktiengesellschaft (DE) 1982-10-13 EP claimed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9867372-B2 Tetrazolinone compound and use of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-16 US disclosed
US-9512090-B2 Tetrazolinone compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-06 US disclosed
US-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-09 US disclosed
US-4368066-A 1,3-Dioxan-5-yl-alkenyltriazoles, their preparation, their uses in regulating plant growth, and regulators containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1983-01-11 US disclosed
EP-0062236-A2 Use of triazole derivatives for combating fungi BASF Aktiengesellschaft (DE) 1982-10-13 EP disclosed
EP-0044407-A2 1,3-Dioxan-5-yl-alkyl triazoles, their preparation and their use as plant growth regulators BASF Aktiengesellschaft (DE) 1982-01-27 EP disclosed
EP-0043923-A2 1,3-Dioxan-5-yl-alkenyl triazoles, their preparation and their use as plant growth regulators BASF Aktiengesellschaft (DE) 1982-01-20 EP disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (3 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-20160159755-A1 TETRAZOLINONE COMPOUND AND USE THEREOF CYP1A1, CASP1, TCOF1 ALDH1A1 1480/4885GAA 4233/4885NPC1 3262/4885
US-20070037865-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives SIRT2, SIRT1, SIRT3 ALDH1A1 1903/4885GAA 1553/4885NPC1 3657/4885
US-20070037810-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 ALDH1A1 1331/4885GAA 1262/4885NPC1 3313/4885

“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.