SCHEMBL2743567

SCHEMBL2743567

O=Cc1ccc(-c2ccnc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.43
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
KIF11 P52732 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ERN1 O75460 1/20 0.39
DRD1 P21728 2/20 0.38
KMO O15229 1/20 0.38
CYP19A1 P11511 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP4K4 O95819 2/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 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
SCHEMBL4027001 0.79 IDO1 (0.55) CCNCCDK8IDO1KMOCYP19A1
SCHEMBL31519045 0.79 HSD17B10 (0.48) HSD17B10KIF11ALDH1A1DRD1KDM4E
SCHEMBL29517669 0.78
SCHEMBL39750 0.78
SCHEMBL3500189 0.78 MAP4K4 (0.49) CCNCCDK8IDO1MAP4K4S1PR1
SCHEMBL5250431 0.78 MKNK1 (0.57) KIF11ERN1DRD1KDM4ES1PR1
SCHEMBL25070215 0.76 ADORA2A (0.54) CCNCCDK8IDO1CYP19A1
Water SCHEMBL29954269 0.76 ALDH1A1 (0.45) HSD17B10IDO1ALDH1A1KDM4E
SCHEMBL4672168 0.76 LMNA (0.52) CCNCCDK8IDO1CYP19A1LMNA
SCHEMBL2563186 0.75 KMO (0.58) KIF11ALDH1A1ERN1DRD1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed
US-9018363-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-04-28 US disclosed
US-9006468-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-04-14 US disclosed
US-20150080326-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-03-19 US disclosed
CN-101998963-B Insecticidal composition DOW AGROSCIENCES LLC 2014-09-24 CN disclosed
US-20120172218-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
US-20120122805-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-05-17 US disclosed
US-8178658-B2 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES, LLC (US) 2012-05-15 US disclosed
CN-101998963-A Insecticidal composition DOW AGROSCIENCES LLC (US) 2011-03-30 CN disclosed
EP-2247603-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2010-11-10 EP disclosed
WO-2009102736-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2009-08-20 WO disclosed
US-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DOW AGROSCIENCES LLC (US) 2009-08-20 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 (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-20090209476-A1 Insecticide (against arthropods), nematocide; use against pesticide-resistant pests; use on plants and animals; Compounds are tetrahydropyrans substituted with an aryl-heteroaryl-aryl-containing group DDT, ACHE, NANP HSD17B10 1173/4885CCNC 3324/4885CDK8 2565/4885
US-20120172218-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 2378/4885CCNC 2114/4885CDK8 3980/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 2378/4885CCNC 2114/4885CDK8 3980/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS HSD17B10 2378/4885CCNC 2114/4885CDK8 3980/4885

“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.