SCHEMBL16552184

SCHEMBL16552184

CC(C)(C)OC(=O)NCCc1ncc(Br)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
AAK1 Q2M2I8 2/20 0.46
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
XBP1 P17861 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
IDO1 P14902 2/20 0.40

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
SCHEMBL16809853 0.87 AAK1 (0.45) STK17BSTK17AAAK1KDM4ELMNA
SCHEMBL2129621 0.87 ALDH1A1 (0.49) STK17BSTK17AALDH1A1HPGDHTT
SCHEMBL30162902 0.87 AAK1 (0.45) STK17BSTK17AAAK1KDM4ELMNA
SCHEMBL2946716 0.85 AAK1 (0.46) STK17BSTK17AAAK1ALDH1A1HTT
SCHEMBL31362427 0.84 AAK1 (0.40) STK17BSTK17AAAK1ALDH1A1HTT
SCHEMBL31362474 0.82 AAK1 (0.43) STK17BSTK17AAAK1ALDH1A1HTT
SCHEMBL2493199 0.82 ALDH1A1 (0.46) STK17BSTK17AALDH1A1HPGDHTT
SCHEMBL16593050 0.81 STK17B (0.46) STK17BSTK17AAAK1HPGDHTT
SCHEMBL16540928 0.80 GLA (0.40) ALDH1A1HPGDMAPTGLAHSD17B10
SCHEMBL18335113 0.79 AAK1 (0.50) STK17BSTK17AAAK1TP53SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-24 US disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-9868719-B2 Compounds with pesticidal activity BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-16 US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
US-9776967-B2 Carboxamide derivatives as pesticidal compounds BAYER ANIMAL HEALTH GMBH (DE) 2017-10-03 US disclosed
EP-3039018-B1 PYRIDYL CARBOXAMIDE DERIVATIVES WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2017-08-02 EP disclosed
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-12 US disclosed
EP-3109234-A1 ALKYNYLPYRIDINE-SUBSTITUTED AMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2016-12-28 EP disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 US disclosed
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ELANCO ANIMAL HEALTH GMBH (DE) 2016-08-04 US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US disclosed
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-07-14 US disclosed
WO-2015055535-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2015-04-23 WO disclosed
WO-2015028427-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY BAYER CROPSCIENCE AG (DE) 2015-03-05 WO 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 (4 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-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide CHRM1, CHRM2, CHRM3 STK17B 2938/4885STK17A 2474/4885AAK1 1804/4885
US-20160221950-A1 CARBOXAMIDE DERIVATIVES AS PESTICIDAL COMPOUNDS ACHE, DDT, NIT2 STK17B 4476/4885STK17A 4389/4885AAK1 3983/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 STK17B 2938/4885STK17A 2474/4885AAK1 1804/4885
US-20160198708-A1 COMPOUNDS WITH PESTICIDAL ACTIVITY ACHE, DDT, CAT STK17B 3907/4885STK17A 3999/4885AAK1 3519/4885

“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.