SCHEMBL899719

SCHEMBL899719

O=Cc1c(Cl)ncn1-c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
HCAR1 Q9BXC0 5/20 0.36
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
ERN1 O75460 1/20 0.33
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
NFE2L2 Q16236 2/20 0.31

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
SCHEMBL899520 0.71 KDM4E (0.34) PTGS2PTGS1HCAR1GABRG2GABRB3
SCHEMBL899141 0.67 ERN1 (0.34) ERN1
SCHEMBL900038 0.66 ALDH1A1 (0.41) POLB
SCHEMBL16332464 0.65 KMT2A (0.46) POLBERN1
SCHEMBL5240404 0.62 HTT (0.56) POLB
SCHEMBL31074899 0.61 RAB9A (0.55) POLB
SCHEMBL11053190 0.61 KDM4E (0.40) HCAR1
SCHEMBL19953173 0.60 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL19952995 0.59 HCAR1 (0.40) PTGS2PTGS1HCAR1GABRG2GABRB3
SCHEMBL32680262 0.59 HCAR1 (0.46) HCAR1ERN1NFE2L2

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-2621907-A1 FUNGICIDAL IMIDAZOLES E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP 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 PTGS2 1076/4885PTGS1 608/4885HCAR1 2397/4885

“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.