SCHEMBL899164

SCHEMBL899164

COc1ccc(C(O)c2c(Br)ncn2-c2c(F)cccc2F)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NR3C2 P08235 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.32
LCK P06239 1/20 0.32
LMNA P02545 1/20 0.31
KCNH2 Q12809 2/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
FGFR1 P11362 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
MAPK1 P28482 1/20 0.31
MAPK10 P53779 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 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
SCHEMBL898800 0.81 PTGES (0.34) PTGESNR3C2MEN1KMT2AEGFR
SCHEMBL898901 0.79 HSP90AA1 (0.34) NR3C2MEN1KMT2AEGFRLCK
SCHEMBL898061 0.76 PDE2A (0.33) PTGESNR3C2MEN1KMT2ALMNA
SCHEMBL899373 0.76 CRHR1 (0.35) PTGESNR3C2MEN1KMT2ALMNA
SCHEMBL899492 0.74 NR3C2 (0.38) PTGS1PTGS2NR3C2
SCHEMBL899116 0.72 PTGES (0.34) PTGESLMNA
SCHEMBL27923259 0.69 PTGS1 (0.40) PTGS1PTGS2FGFR1ALDH1A1HPGD
SCHEMBL898872 0.69 WNT3A (0.34) PTGES
SCHEMBL899094 0.68 RAB9A (0.34) TSHR
SCHEMBL27905455 0.68 PTGES (0.35) PTGESMEN1KMT2AEGFRLCK

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 PTGES 1665/4885PTGS1 608/4885PTGS2 1076/4885

“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.