SCHEMBL5012154

SCHEMBL5012154

CCCNCc1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49
PLK1 P53350 1/20 0.48
FAAH O00519 1/20 0.45
NLRP3 Q96P20 1/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL30493949 1.00 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL6444346 0.90 KDM4E (0.60) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL7761434 0.88 KDM4E (0.65) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL888411 0.85 KDM4E (0.56) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL9279836 0.85 GAA (0.63) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL8372045 0.84 KDM4E (0.51) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL4854056 0.82 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL29777000 0.82 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL5833071 0.82 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1SMN1; SMN2
SCHEMBL1797036 0.82 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides KUREHA CORPORATION (JP) 2004-08-05 US claimed
EP-1375483-A1 6-CHLORO-3-PYRIDYLMETHYLPROPYLAMINE DERIVATIVES, PREPARATION PROCESS THEREOF AND BACTERICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2004-01-02 EP claimed
CN-113563322-B Substituted benzamide isoxazoline derivative or salt acceptable as pesticide, composition and application thereof 海利尔药业集团股份有限公司 2023-07-07 CN disclosed
CN-113563322-A Substituted benzamide isoxazoline derivative or salt and composition thereof acceptable as pesticide and application thereof 海利尔药业集团股份有限公司 2021-10-29 CN disclosed
EP-1581546-B1 AVERMECTIN B1 DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4''- OR 4'-POSITION MERIAL INC (US) 2019-03-20 EP disclosed
CN-104119268-A Preparation and application of trifluoroacetyl anabasine compounds with insecticidal activity UNIV JINAN 2014-10-29 CN disclosed
US-8263566-B2 Avermectin B1 and avermectin B1 monosaccharide derivatives having an alkoxymethyl substituent in the 4″-or 4′-position MERIAL LIMITED (US) 2012-09-11 US disclosed
US-20110230429-A1 AVERMECTIN B1 AND AVERMECTIN B1 MONOSACCHARIDE DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4\"-OR 4'-POSITION SYNGENTA CROP PROTECTION, LLC (US) 2011-09-22 US disclosed
US-8017589-B2 Avermectin B1 and avermectin B1 monosaccharide derivatives having an alkoxymethyl substituent in the 4″-or 4′-position SYNGENTA CROP PROTECTION LLC (US) 2011-09-13 US disclosed
US-8017589-B2 Avermectin B1 and avermectin B1 monosaccharide derivatives having an alkoxymethyl substituent in the 4″-or 4′-position SYNGENTA CROP PROTECTION LLC (US) 2011-09-13 US disclosed
CN-1091737-A The method for preparing amine compound or its salt TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1994-09-07 CN disclosed
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
US-5214152-A Insecticides, miticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-05-25 US disclosed
EP-0529680-A2 Intermediates, their production and their use for preparing alpha-unsaturated amines TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-03 EP disclosed
US-5175301-A Insecticide, miticide, pesticide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-29 US disclosed
EP-0509559-A2 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-21 EP disclosed
CN-1031079-A Alpha-unsaturated amines, process for their production and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1989-02-15 CN disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL KDM4E 3446/4885GAA 53/4885MAPT 4621/4885
US-20040152903-A1 6-chloro-3-pyridylmethylpropylamine derivatives, preparation process thereof and bactericides PGLS, TLR6, UROD KDM4E 330/4885GAA 3031/4885MAPT 3934/4885
US-20110230429-A1 AVERMECTIN B1 AND AVERMECTIN B1 MONOSACCHARIDE DERIVATIVES HAVING AN ALKOXYMETHYL SUBSTITUENT IN THE 4\"-OR 4'-POSITION CHRM1, CHRM2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KDM4E 2892/4885GAA 4535/4885MAPT 1693/4885

“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.