SCHEMBL203422

SCHEMBL203422

CO/C=C(/C(=O)OC)c1ccccc1Oc1cc(Oc2cccnc2Cl)ncn1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK8 P45983 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CCR2 P41597 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL31289589 1.00 HTR2C (0.38) HTR2CNPC1MEN1KMT2APOLB
SCHEMBL9478389 1.00 HTR2C (0.38) HTR2CNPC1MEN1KMT2APOLB
SCHEMBL29359186 1.00 HTR2C (0.38) HTR2CNPC1MEN1KMT2APOLB
SCHEMBL2854211 0.91 SMN1; SMN2 (0.37) HTR2CNPC1MEN1KMT2APOLB
SCHEMBL2854206 0.91 SMN1; SMN2 (0.37) HTR2CNPC1MEN1KMT2APOLB
SCHEMBL16561719 0.90 MEN1 (0.41) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL19975664 0.88 NPSR1 (0.44) MEN1KMT2ARAB9AALDH1A1SMN1; SMN2
SCHEMBL709624 0.88 SMN1; SMN2 (0.42) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL31493947 0.88 SMN1; SMN2 (0.42) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL2996165 0.88 SMN1; SMN2 (0.42) NPC1MEN1KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11185074-B2 Microbiocidal quinoline (thio)carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-11-30 US disclosed
CN-113646295-A Fungicidal compounds 先正达农作物保护股份公司 2021-11-12 CN disclosed
CN-112789265-A Microbicidal compounds 先正达农作物保护股份公司 2021-05-11 CN disclosed
EP-2670239-B1 FORMULATION FOR THE ANTIMICROBIAL AND FUNGICIDAL TREATMENT OF POLYMERIC MATERIALS, IN PARTICULAR OF PAINTS AND COATINGS SANITIZED AG (CH) 2015-08-12 EP disclosed
US-20150144027-A1 PARTICULATE WOOD PRESERVATIVE AND METHOD FOR PRODUCING THE SAME KOPPERS INC. (F/K/A KOPPERS INDUSTRIES, INC.) 2015-05-28 US disclosed
US-8871277-B2 Particulate wood preservative and method for producing the same OSMOSE, INC. (US) 2014-10-28 US disclosed
WO-2014102228-A1 FORMULATION FOR THE ANTIMICROBIAL TREATMENT OF POLYMER COMPOSITIONS SANITIZED AG (CH) 2014-07-03 WO disclosed
EP-2749167-A1 Formulation for the antimicrobial treatment of polyvinyl chloride compositions Sanitized AG (CH) 2014-07-02 EP disclosed
EP-2670239-A1 FORMULATION FOR THE ANTIMICROBIAL AND FUNGICIDAL TREATMENT OF POLYMERIC MATERIALS, IN PARTICULAR OF PAINTS AND COATINGS Sanitized AG (CH) 2013-12-11 EP disclosed
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF AVENTIS AGRICULTURE (FR) 2013-12-05 US disclosed
EP-0730517-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AG (DE) 1996-09-11 EP disclosed
WO-1996025044-A1 S-ARYL CYANIMIDOTHIO COMPOUNDS FOR MATERIAL PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed
WO-1996010915-A1 INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-18 WO disclosed
WO-1995034204-A1 BACTERICIDE THIADIAZOLIDINONES BAYER AKTIENGESELLSCHAFT (DE) 1995-12-21 WO disclosed
WO-1995026962-A1 THIAZOLYLPYRAZOLINONES AND THEIR USE FOR PROTECTING TECHNICAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1995-10-12 WO disclosed
WO-1995024997-A1 COMBINATIONS OF ACTIVE INSECTICIDE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 1995-09-21 WO disclosed
WO-1995014558-A1 TIMBER PRESERVATIVE CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-06-01 WO disclosed
WO-1995011786-A1 TIMBER PROTECTING MEDIUM CONTAINING A COPPER COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1995-05-04 WO disclosed
US-5229391-A For plants and seeds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-20 US disclosed
US-5059605-A Methyl 2-(pyridyloxypyrimidinyleneoxyphenylene)-3-methoxypropenoates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-10-22 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-11185074-B2 Microbiocidal quinoline (thio)carboxamide derivatives IFNG, TLR1, IDO1 HTR2C 1200/4885NPC1 2197/4885MEN1 2747/4885
US-20130324457-A1 1-ARYL-5-ALKYL PYRAZOLE DERIVATIVE COMPOUNDS, PROCESSES OF MAKING AND METHODS OF USING THEREOF CBR3, CBR1, NR5A2 HTR2C 865/4885NPC1 858/4885MEN1 3084/4885

“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.