SCHEMBL4544484

SCHEMBL4544484

CC(F)(c1ccc2oc(-c3ccncc3Cl)nc2c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.44
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LATS1 O95835 2/20 0.39
LATS2 Q9NRM7 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL1024010 0.88 ESR1 (0.44) AGPAT2ESR1ESR2NPC1RAB9A
SCHEMBL1023943 0.88 ESR1 (0.44) AGPAT2ESR1ESR2NPC1RAB9A
SCHEMBL1027432 0.88 NPC1 (0.46) AGPAT2ESR1ESR2NPC1RAB9A
SCHEMBL1026561 0.88 AGPAT2 (0.52) AGPAT2ESR1ESR2NPC1RAB9A
SCHEMBL4544429 0.80 PIK3CB (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL1024114 0.80 HSD17B10 (0.46) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL4544387 0.79 KDM4E (0.54) AGPAT2ESR1ESR2NPC1RAB9A
SCHEMBL1026580 0.78 ESR1 (0.43) AGPAT2ESR1ESR2NPC1RAB9A
SCHEMBL1025131 0.76 NPC1 (0.44) AGPAT2NPC1RAB9AKDM4ECYP1A2
SCHEMBL1025684 0.76 ESR2 (0.40) AGPAT2ESR1ESR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-25 US disclosed
US-8445522-B2 Substituted 2-(4-pyridyl)benzoxazoles, and compositions thereof, for use in arthropod pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-21 US disclosed
US-8324387-B2 Substituted Oxazolo[5,4-b]pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-04 US disclosed
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-18 US disclosed
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 US disclosed
US-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-27 US disclosed
US-8242133-B2 Arthropod pest control compositions comprising substituted oxazolo [5,4-b ] pyridines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-03 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 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 (8 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-20120245167-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R AGPAT2 652/4885ESR1 3274/4885ESR2 2840/4885
US-20120108586-A1 ARTHROPOD PEST CONTROL METHOD AND COMPOSITION C5, C1S, C1R AGPAT2 652/4885ESR1 3274/4885ESR2 2840/4885
US-20120264750-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC AGPAT2 1499/4885ESR1 4830/4885ESR2 4739/4885
US-20120245159-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS NISCH, DDT, AADAC AGPAT2 2123/4885ESR1 4496/4885ESR2 4454/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S AGPAT2 1148/4885ESR1 2040/4885ESR2 2609/4885
US-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 AGPAT2 1407/4885ESR1 1513/4885ESR2 1544/4885
US-20120252803-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, ACHE, AADAC AGPAT2 868/4885ESR1 4775/4885ESR2 4545/4885
US-20120252804-A1 COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS DDT, AADAC, CYP4F3 AGPAT2 1650/4885ESR1 4621/4885ESR2 4393/4885

“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.