SCHEMBL899141

SCHEMBL899141

O=Cc1cncn1-c1c(F)cccc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ALDH1A1 P00352 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
ATM Q13315 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
SCHEMBL10871543 0.77 CYP11B1 (0.35) CYP11B1CYP11B2ALDH1A1
SCHEMBL27905369 0.76 POLB (0.38) ALDH1A1ATM
SCHEMBL4836447 0.74 ALDH1A1 (0.41) CYP11B1CYP11B2ALDH1A1ATM
SCHEMBL7563960 0.73 ATM (0.53) CYP11B1CYP11B2ALDH1A1ATM
SCHEMBL27905454 0.70 GABRA5 (0.33) ALDH1A1IDO1TDO2ATM
SCHEMBL17940712 0.69 MAPK14 (0.49) ALDH1A1
SCHEMBL15006750 0.68 POLB (0.46) ALDH1A1
SCHEMBL28073056 0.68 HSP90AA1 (0.43) CYP11B1CYP11B2ALDH1A1
SCHEMBL24013542 0.67 GABRG2 (0.34) CYP11B1CYP11B2
SCHEMBL899719 0.67 PTGS2 (0.36) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
CN-103153962-A Fungicidal imidazoles DU PONT 2013-06-12 CN disclosed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US disclosed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 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-20130143929-A1 FUNGICIDAL IMIDAZOLES CYP1A1, CYP1B1, CYP2E1 ERN1 1728/4885CYP11B1 86/4885CYP11B2 114/4885

“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.