SCHEMBL899836

SCHEMBL899836

Cc1nc(Cl)n(-c2c(F)cc(F)cc2Cl)c1C(C)(O)c1ccc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP51A1 Q16850 1/20 0.32
ACSS2 Q9NR19 1/20 0.31
P2RX7 Q99572 3/20 0.31
HSD11B1 P28845 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 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
SCHEMBL898515 0.71 NR3C2 (0.32) CYP3A4P2RX7
SCHEMBL899066 0.71 MAPK14 (0.37) CYP3A4LMNAP2RX7
SCHEMBL899021 0.71 NR3C2 (0.34) CYP3A4P2RX7
SCHEMBL899181 0.70 NR3C2 (0.31) CYP3A4P2RX7
SCHEMBL898961 0.69 KEAP1 (0.36) CYP3A4P2RX7
SCHEMBL898051 0.65 KMT2A (0.41)
SCHEMBL28135167 0.64 HSD11B1 (0.35) CYP3A4P2RX7HSD11B1
SCHEMBL1507033 0.64 KCNN4 (0.43) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL29727285 0.64 KCNN4 (0.43) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL899144 0.64 NR3C2 (0.32)

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 CYP3A4 27/4885CYP2C9 33/4885CYP2C19 44/4885

“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.