SCHEMBL898947

SCHEMBL898947

Cc1ncc(C(O)c2ccc(F)cc2Cl)n1-c1c(F)cc(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.32
NR3C2 P08235 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX7 Q99572 3/20 0.32
TRPC4 Q9UBN4 1/20 0.31
TRPC5 Q9UL62 1/20 0.31
SCN9A Q15858 1/20 0.31
ALK Q9UM73 2/20 0.31
NTRK1 P04629 1/20 0.31
MDM4 O15151 1/20 0.30
MAPK14 Q16539 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL898903 0.77 NR3C2 (0.33) NR3C2TRPC5MAPK14
SCHEMBL899021 0.73 NR3C2 (0.34) MDM2NR3C2P2RX7CYP3A4
SCHEMBL899352 0.71 NR3C2 (0.33) NR3C2P2RX7CYP3A4
SCHEMBL898785 0.70 NR3C2 (0.33) MDM2NR3C2
SCHEMBL899144 0.70 NR3C2 (0.32) NR3C2
SCHEMBL899040 0.70 NR3C2 (0.32) NR3C2
SCHEMBL898515 0.68 NR3C2 (0.32) NR3C2P2RX7CYP3A4
SCHEMBL898920 0.68 NR3C2 (0.37) MDM2NR3C2L3MBTL1MAPK14
SCHEMBL898839 0.68 NR3C2 (0.32) MDM2NR3C2TRPC5
SCHEMBL332337 0.68 P2RX7 (0.42) MDM2NR3C2P2RX7

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 MDM2 1415/4885NR3C2 2193/4885L3MBTL1 1864/4885

“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.