SCHEMBL899373

SCHEMBL899373

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.35
LMNA P02545 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
THRB P10828 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PTGES O14684 1/20 0.31
PIK3CA P42336 1/20 0.31
NR3C2 P08235 1/20 0.31
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
PDE2A O00408 1/20 0.31
PDE10A Q9Y233 1/20 0.31
APLNR P35414 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 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
SCHEMBL898923 0.88 CRHR1 (0.34) CRHR1HTR2ASLC6A4KCNH2PIK3CA
SCHEMBL898061 0.85 PDE2A (0.33) CRHR1LMNAHTR2ASLC6A4KCNH2
SCHEMBL898800 0.82 PTGES (0.34) LMNAHTR2ASLC6A4KCNH2PTGES
SCHEMBL899116 0.79 PTGES (0.34) CRHR1LMNASMN1; SMN2PTGESPDE2A
SCHEMBL899094 0.77 RAB9A (0.34) PDE2APDE10AAPLNRNPC1RAB9A
SCHEMBL899164 0.76 PTGES (0.32) LMNAHTR2ASLC6A4KCNH2L3MBTL1
SCHEMBL899670 0.75 NR3C2 (0.36) KCNH2L3MBTL1NR3C2
SCHEMBL899241 0.75 PDE2A (0.34) LMNASMN1; SMN2PTGESPDE2APDE10A
SCHEMBL898901 0.73 HSP90AA1 (0.34) LMNAHTR2ASLC6A4KCNH2NR3C2
SCHEMBL898872 0.71 WNT3A (0.34) PTGESPDE2APDE10ARAB9A

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 CRHR1 4121/4885LMNA 4469/4885HTR2A 4062/4885

“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.