SCHEMBL1162736

SCHEMBL1162736

COc1cc(OC)c(Cl)c(-c2c(C)nnc(Cl)c2-c2c(F)cc(F)cc2F)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.31
GRM8 O00222 1/20 0.31
GRM7 Q14831 1/20 0.31
PDE2A O00408 2/20 0.30
PDE10A Q9Y233 2/20 0.30
PDE6D O43924 1/20 0.30
PDE6A P16499 1/20 0.30
PDE6G P18545 1/20 0.30
PDE4A P27815 1/20 0.30
PDE6B P35913 1/20 0.30
PDE6C P51160 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
PDE6H Q13956 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
SCHEMBL1937435 0.81 KDM4E (0.37) ALDH1A1KDM4EPDE2APDE10APDE6D
SCHEMBL1937549 0.81 NPC1 (0.36) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL1162406 0.81 CYP1A2 (0.33) ALDH1A1CYP1A2CYP3A4GRM8GRM7
SCHEMBL1162305 0.79 CYP1A2 (0.34) ALDH1A1CYP1A2CYP3A4GRM8GRM7
SCHEMBL14324084 0.79 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL29184356 0.77 MEN1 (0.34) ALDH1A1CYP1A2CYP3A4GRM8GRM7
SCHEMBL30284776 0.77 MEN1 (0.34) ALDH1A1CYP1A2CYP3A4GRM8GRM7
SCHEMBL2347440 0.77 NPC1 (0.39) ALDH1A1CYP1A2KDM4E
SCHEMBL1162374 0.75 CYP1A2 (0.37) ALDH1A1CYP1A2CYP3A4GRM8GRM7
SCHEMBL1559111 0.74 NPC1 (0.37) PDE2APDE10APDE6DPDE6APDE6G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462120-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
US-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2012-05-31 US disclosed
WO-2011017261-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 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-20120135995-A1 FUNGICIDAL DIPHENYL-SUBSTITUTED PYRIDAZINES PNPO, CYP1B1, PRXL2A ALDH1A1 744/4885CYP1A2 21/4885CYP3A4 120/4885

“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.