SCHEMBL12744367

SCHEMBL12744367

CCCNc1c([N+](=O)[O-])c(Cl)nc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
ADORA2A P29274 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTT P42858 3/20 0.45
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL6723473 0.93 KDM4E (0.51) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL15922800 0.90 SMN1; SMN2 (0.57) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL12744387 0.87 POLB (0.58) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL1456869 0.87 KDM4E (0.52) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL14850947 0.86 ALDH1A1 (0.56) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL3961147 0.86 MAPT (0.57) EGFRHTTMAPK1ALDH1A1KDM4E
SCHEMBL203833 0.85 POLB (0.60) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL15923112 0.85 MAPK1 (0.52) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL15923117 0.85 MAPK1 (0.52) EGFRCHRM2CHRM1DRD2ADRA2B
SCHEMBL213486 0.84 POLB (0.56) EGFRCHRM2CHRM1DRD2ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 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 (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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 EGFR 4040/4885CHRM2 3887/4885CHRM1 2889/4885

“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.