SCHEMBL2113446

SCHEMBL2113446

O=c1oc(-c2ccc(Cl)nc2)ns1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 12/20 0.56
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
NOTUM Q6P988 1/20 0.46
PIK3CD O00329 1/20 0.41
CASP3 P42574 1/20 0.40
PSMB11 A5LHX3 1/20 0.40
PSMD11 O00231 1/20 0.40
PSMD12 O00232 1/20 0.40
PSMD14 O00487 1/20 0.40
PSMA7 O14818 1/20 0.40
PSMD3 O43242 1/20 0.40
PSMC3 P17980 1/20 0.40
PSMB1 P20618 1/20 0.40
PSMA1 P25786 1/20 0.40
PSMA2 P25787 1/20 0.40
PSMA3 P25788 1/20 0.40
PSMA4 P25789 1/20 0.40
PSMB9 P28065 1/20 0.40
PSMA5 P28066 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
SCHEMBL459541 0.79 PSMB8 (0.68) PSMB8NPC1RAB9ANOTUMPSMB11
SCHEMBL4117764 0.75 PSMB8 (0.57) PSMB8RAB9ANOTUMCASP3PSMB11
SCHEMBL14755672 0.73 PSMB8 (0.58) PSMB8PIK3CDPSMB11PSMD11PSMD12
SCHEMBL1781945 0.72 PSMB8 (0.68) PSMB8NPC1RAB9ANOTUMPSMB11
SCHEMBL18614390 0.72 PSMB8 (0.68) PSMB8NPC1RAB9APSMB11PSMD11
SCHEMBL16363828 0.72 PSMB8 (0.68) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL9627131 0.72 PSMB8 (0.68) PSMB8PSMB11PSMD11PSMD12PSMD14
SCHEMBL1505637 0.71 PSMB8 (0.62) PSMB8NPC1RAB9ANOTUMPSMB11
SCHEMBL4114062 0.71 PSMB8 (0.53) PSMB8NPC1RAB9ANOTUMPSMB11
SCHEMBL14755681 0.70 PSMB8 (0.50) PSMB8PSMB11PSMD11PSMD12PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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 (1 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE PSMB8 1399/4885NPC1 4000/4885RAB9A 717/4885

“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.