SCHEMBL4382218

SCHEMBL4382218

[CH2]c1ccc2cc(C#N)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
NQO1 P15559 1/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
HPGDS O60760 1/20 0.39
CYP17A1 P05093 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP2A6 P11509 1/20 0.39
PIN1 Q13526 1/20 0.38
PDE10A Q9Y233 1/20 0.38
PKN1 Q16512 1/20 0.37
PKN2 Q16513 1/20 0.37
APP P05067 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
SCN9A Q15858 3/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL16288972 0.81 CYP1A1 (0.38) HRH3NQO1
SCHEMBL5873739 0.77 PLAU (0.57) HRH3
SCHEMBL26093953 0.77 HRH3 (0.46) HRH3NQO1CYP11B1CYP11B2HPGDS
SCHEMBL28227758 0.77 HRH3 (0.46) HRH3NQO1CYP11B1CYP11B2HPGDS
SCHEMBL4054850 0.77 CYP1A2 (0.57) HRH3NQO1
SCHEMBL25260514 0.77 HRH3 (0.46) HRH3NQO1CYP11B1CYP11B2HPGDS
SCHEMBL1036525 0.77 HRH3 (0.46) HRH3NQO1CYP11B1CYP11B2HPGDS
SCHEMBL1344485 0.73 CYP2A6 (0.54) CYP11B1CYP11B2CYP17A1IMPDH2IMPDH1
SCHEMBL29489119 0.73 CYP2A6 (0.54) CYP11B1CYP11B2CYP17A1IMPDH2IMPDH1
SCHEMBL11422378 0.73 ALDH1A1 (0.58) HRH3CA1CA2CSNK1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
CN-106572659-B Harmful arthropod agent for preventing and eliminating containing amide compound 住友化学株式会社 2019-05-10 CN disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9854803-B2 Noxious arthropod control agent containing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-02 US disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-03 US disclosed
EP-3178323-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-06-14 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
EP-2119717-A1 8-[3-amino-piperidin-1-yl]-xanthins, their production and utilisation as DPP IV inhibitors Boehringer Ingelheim International GmbH (DE) 2009-11-18 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 HRH3 45/4885NQO1 499/4885CYP11B1 824/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 HRH3 32/4885NQO1 2084/4885CYP11B1 1112/4885
US-20170215424-A1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND TRPA1, OPRM1, OPRL1 HRH3 76/4885NQO1 521/4885CYP11B1 3319/4885

“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.