SCHEMBL7036037

SCHEMBL7036037

OCCCCc1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
KDM4E B2RXH2 2/20 0.38
TLR7 Q9NYK1 2/20 0.36
TBXAS1 P24557 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HRH1 P35367 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CXCR4 P61073 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA2 P00918 2/20 0.31
DAO P14920 1/20 0.31
JAK2 O60674 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31

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
SCHEMBL29263650 0.98 NAAA (0.50) NAAAKDM4ETLR7TBXAS1ADORA2A
SCHEMBL9741621 0.98 NAAA (0.50) NAAAKDM4ETLR7TBXAS1ADORA2A
SCHEMBL4813452 0.92 NAAA (0.44) NAAAKDM4EALDH1A1L3MBTL1CXCR4
SCHEMBL4276100 0.81
SCHEMBL29180589 0.78 KDM4E (0.37) KDM4ETLR7TBXAS1CA2DAO
SCHEMBL29104167 0.77 NAAA (0.48) NAAAHRH1ALDH1A1
SCHEMBL169447 0.76 KDM4E (0.36) NAAAKDM4ETLR7TBXAS1LMNA
SCHEMBL27337771 0.76 NPC1 (0.39) KDM4ETLR7ALDH1A1KMT2ASMN1; SMN2
SCHEMBL7036030 0.75 NAAA (0.47) NAAAHRH1
SCHEMBL9706426 0.75 NAAA (0.52) NAAAHRH1ALDH1A1L3MBTL1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4525204-A Method and compositions for regulating plant growth using pyrimidine-butanol compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-06-25 US claimed
EP-0057357-B1 PLANT GROWTH STUNTING AGENT BAYER AG (DE) 1984-07-25 EP claimed
CN-110506038-B Pesticidal compounds 巴斯夫欧洲公司 2023-11-24 CN disclosed
CN-116829521-A Synergistic effect of DCD and alkoxypyrazole as nitrification inhibitor 巴斯夫欧洲公司 2023-09-29 CN disclosed
CN-112424147-B Use of substituted thiazolidine compounds as nitrification inhibitors 巴斯夫欧洲公司 2023-06-30 CN disclosed
EP-3315492-B1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2020-09-16 EP disclosed
EP-3315492-A1 PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2018-05-02 EP disclosed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
US-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
US-5149698-A Pyrimidinyl alkyleneoxy bronchodilator agent GLAXO GROUP LIMITED (GB) 1992-09-22 US disclosed
US-4996218-A Bronchodilator, antiulcer agent, cardiovascular disorders GLAXO GROUP LIMITED (GB) 1991-02-26 US disclosed
US-4911750-A Mixture of a 1,2,4-triazole and phosphorus compound BAYER AKTIENGESELLSCHAFT (DE) 1990-03-27 US disclosed
EP-0303464-A2 Chloroaniline derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP disclosed
US-4525204-A Method and compositions for regulating plant growth using pyrimidine-butanol compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-06-25 US disclosed
US-4525204-A Method and compositions for regulating plant growth using pyrimidine-butanol compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-06-25 US disclosed
US-4525204-A Method and compositions for regulating plant growth using pyrimidine-butanol compounds BAYER AKTIENGESELLSCHAFT (DE) 1985-06-25 US disclosed
US-4452625-A 1,2,4-TETRAZOLE COMPOUND WITH A CYCLOPROPANE CARBOXY COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 NAAA 3349/4885KDM4E 1835/4885TLR7 2048/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER NAAA 1037/4885KDM4E 2447/4885TLR7 4392/4885

“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.