SCHEMBL899572

SCHEMBL899572

OC(c1ccc(F)cc1Cl)c1c(Cl)nc(Cl)n1-c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.33
GLA P06280 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
MDM2 Q00987 3/20 0.31
NR3C2 P08235 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
P2RX7 Q99572 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
SCHEMBL14989883 0.92 MDM2 (0.34) MDM2NR3C2P2RX7
SCHEMBL898060 0.88 TRPC5 (0.33) GRM5GLAMAPK13MAPK12MAPK11
SCHEMBL899221 0.88 GLA (0.36) GRM5GLAMAPK13MAPK12MAPK11
SCHEMBL900097 0.88 MDM2 (0.30) MDM2NR3C2
SCHEMBL898785 0.86 NR3C2 (0.33) MDM2NR3C2CES2CES1
SCHEMBL899670 0.84 NR3C2 (0.36) MAPK13MAPK12MAPK11MAPK14MDM2
SCHEMBL899761 0.82 NR3C2 (0.31) NR3C2
SCHEMBL899633 0.82 NR3C2 (0.35) MAPK13MAPK12MAPK11MAPK14MDM2
SCHEMBL899838 0.81 CES2 (0.33) NR3C2CES2CES1
SCHEMBL899125 0.80 NR3C2 (0.33) 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 6 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 claimed
US-20130143929-A1 FUNGICIDAL IMIDAZOLES EI DU PONT DE NEMOURS AND COMPANY (US) 2013-06-06 US claimed
WO-2012044650-A1 FUNGICIDAL IMIDAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-05 WO claimed
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 GRM5 3322/4885GLA 4314/4885MAPK13 3761/4885

“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.