SCHEMBL1229683

SCHEMBL1229683

O=Cc1ccc(-c2ccnc(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
MAPT P10636 8/20 0.45
KMT2A Q03164 8/20 0.45
MEN1 O00255 7/20 0.45
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 2/20 0.44
SCN5A Q14524 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.42
SMO Q99835 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.41
ATM Q13315 1/20 0.41
KDM5A P29375 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MAOA P21397 1/20 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
SCHEMBL1228477 1.00 NPC1 (0.46) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL1229193 0.83 EPHB4 (0.48) NPC1MAPTKDM4EGAASCN5A
SCHEMBL15104557 0.82 ALDH1A1 (0.56) NPC1MAPTKMT2AKDM4EGAA
SCHEMBL4892608 0.81 KDM5A (0.51) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL4893706 0.81 KDM5A (0.51) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL1228360 0.81 MAT2A (0.47) NPC1MAPTKDM4EGAASCN5A
SCHEMBL1228870 0.79 ABL1 (0.49) MAPTKDM4ESCN5AADORA3SCN10A
SCHEMBL1229166 0.79 DRD1 (0.44) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL1230586 0.79 DRD1 (0.44) NPC1MAPTKMT2AMEN1KDM4E
SCHEMBL13568537 0.79 SCN10A (0.49) NPC1MAPTKDM4EGAASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732109-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2017-08-15 US disclosed
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-9179681-B2 Pesticidal compositions DOW AGROSCIENCES LLC (US) 2015-11-10 US disclosed
EP-2461687-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2015-09-16 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
US-8927729-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2015-01-06 US disclosed
US-20140148340-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-05-29 US disclosed
US-20120172217-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-07-05 US disclosed
EP-2461688-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP disclosed
EP-2461687-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2012-06-13 EP 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
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
WO-2011017513-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 WO disclosed
WO-2011017504-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2011-02-10 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
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 (5 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 NPC1 1008/4885MAPT 2297/4885KMT2A 2528/4885
US-20150080326-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885MAPT 3378/4885KMT2A 1970/4885
US-20140148340-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PLCG2 NPC1 3584/4885MAPT 4057/4885KMT2A 2444/4885
US-20120172217-A1 PESTICIDAL COMPOSITIONS DDT, AADAC, ACHE NPC1 1488/4885MAPT 2807/4885KMT2A 1101/4885
US-20120122805-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS NPC1 4139/4885MAPT 3378/4885KMT2A 1970/4885

“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.