SCHEMBL899520

SCHEMBL899520

OCc1c(Cl)ncn1-c1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
PTGS2 P35354 3/20 0.34
PTGS1 P23219 1/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
HCAR1 Q9BXC0 2/20 0.33
MAPK14 Q16539 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
CXCR2 P25025 1/20 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
SCHEMBL899719 0.71 PTGS2 (0.36) PTGS2PTGS1HCAR1GABRG2GABRB3
SCHEMBL900038 0.69 ALDH1A1 (0.41) KDM4E
SCHEMBL899423 0.67 CYP11B2 (0.35) TRPM5MAPK14
SCHEMBL899492 0.65 NR3C2 (0.38) PTGS2PTGS1GABRG2GABRB3GABRA5
SCHEMBL5240404 0.62 HTT (0.56)
SCHEMBL8698512 0.62 CYP3A4 (0.40) KDM4E
SCHEMBL31332980 0.61 CYP17A1 (0.35) KDM4E
SCHEMBL19953173 0.60 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL19952995 0.59 HCAR1 (0.40) PTGS2PTGS1HCAR1GABRG2GABRB3
SCHEMBL11058394 0.59 PI4KA (0.34) KDM4EHCAR1GABRG2GABRB3GABRA5

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 KDM4E 928/4885PTGS2 1076/4885PTGS1 608/4885

“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.