SCHEMBL898061

SCHEMBL898061

COc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.33
PDE10A Q9Y233 3/20 0.33
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAPT P10636 1/20 0.31
PTGES O14684 1/20 0.31
CRHR1 P34998 1/20 0.31
CALCRL Q16602 1/20 0.31
NR3C2 P08235 1/20 0.31
APLNR P35414 2/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL899094 0.93 RAB9A (0.34) PDE2APDE10AMAPTAPLNRNPC1
SCHEMBL899241 0.90 PDE2A (0.34) PDE2APDE10ALMNAMAPTPTGES
SCHEMBL898800 0.88 PTGES (0.34) LMNAHTR2ASLC6A4KCNH2PTGES
SCHEMBL898920 0.87 NR3C2 (0.37) NR3C2
SCHEMBL898872 0.86 WNT3A (0.34) PDE2APDE10APTGESRAB9A
SCHEMBL899373 0.85 CRHR1 (0.35) PDE2APDE10ALMNAHTR2ASLC6A4
SCHEMBL898935 0.83 NR3C2 (0.36) NR3C2
SCHEMBL900059 0.82 CRHR1 (0.38) PDE2APDE10AHTR2ASLC6A4KCNH2
SCHEMBL898064 0.78 MAPK14 (0.33) LMNANR3C2APLNRKMT2A
SCHEMBL898723 0.76 NR3C2 (0.36) NR3C2

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 PDE2A 284/4885PDE10A 1682/4885LMNA 4469/4885

“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.