SCHEMBL899116

SCHEMBL899116

COc1ccc(C(O)c2c(Br)nc(C)n2-c2c(F)cccc2Cl)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
CRHR1 P34998 2/20 0.31
PIK3CD O00329 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
GNRHR P30968 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
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
SCHEMBL899241 0.85 PDE2A (0.34) PTGESLMNARAB9AMAPTPIK3CD
SCHEMBL898800 0.80 PTGES (0.34) PTGESLMNARAB9AGNRHR
SCHEMBL899094 0.80 RAB9A (0.34) RAB9AMAPTPDE2APDE10AP2RX7
SCHEMBL898872 0.80 WNT3A (0.34) PTGESRAB9APDE2APDE10A
SCHEMBL899373 0.79 CRHR1 (0.35) PTGESLMNARAB9ACRHR1PDE2A
SCHEMBL898061 0.75 PDE2A (0.33) PTGESLMNARAB9AMAPTCRHR1
SCHEMBL898925 0.72 NR3C2 (0.34)
SCHEMBL899164 0.72 PTGES (0.32) PTGESLMNA
SCHEMBL898923 0.71 CRHR1 (0.34) CRHR1PDE2APDE10AP2RX7
SCHEMBL898903 0.71 NR3C2 (0.33)

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 PTGES 1665/4885LMNA 4469/4885RAB9A 752/4885

“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.