SCHEMBL4544462

SCHEMBL4544462

Cc1cnc2oc(-c3cc[n+]([O-])cc3Cl)nc2c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 7/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
S1PR1 P21453 1/20 0.30

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
SCHEMBL1025362 0.83 S1PR1 (0.35) AGPAT2S1PR1
SCHEMBL4544443 0.80 KDM4E (0.50) AGPAT2ESR1ESR2
SCHEMBL4544542 0.77 NPC1 (0.39) AGPAT2ESR1ESR2CCR1CCR5
SCHEMBL1024021 0.74 MAOB (0.36)
SCHEMBL1026330 0.70 AGPAT2 (0.49) AGPAT2ESR1ESR2S1PR1
SCHEMBL4544510 0.69 S1PR1 (0.41) ESR1ESR2CCR1CCR5CCR8
SCHEMBL15426365 0.68 ATR (0.42) SGMS2
SCHEMBL4544470 0.68 SGMS2 (0.40) ESR1ESR2CCR1CCR5CCR8
SCHEMBL4544486 0.68 NPC1 (0.35) CCR1CCR5CCR8SGMS2S1PR1
SCHEMBL15426364 0.68 SGMS2 (0.38) SGMS2

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 6 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-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-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

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-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-20130190271-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF CYC1, C9, C5 AGPAT2 1407/4885ESR1 1513/4885ESR2 1544/4885

“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.