SCHEMBL898800

SCHEMBL898800

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.34
LMNA P02545 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
NR3C2 P08235 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
EGFR P00533 1/20 0.30
LCK P06239 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GNRHR P30968 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
SCHEMBL898061 0.88 PDE2A (0.33) PTGESLMNAHTR2ASLC6A4KCNH2
SCHEMBL899285 0.86 NR3C2 (0.35) NR3C2
SCHEMBL899373 0.82 CRHR1 (0.35) PTGESLMNAHTR2ASLC6A4KCNH2
SCHEMBL898925 0.82 NR3C2 (0.34) NR3C2
SCHEMBL899164 0.81 PTGES (0.32) PTGESLMNAHTR2ASLC6A4KCNH2
SCHEMBL899094 0.81 RAB9A (0.34) RAB9ANPC1TSHRHSD17B10
SCHEMBL899116 0.80 PTGES (0.34) PTGESLMNARAB9AGNRHR
SCHEMBL898872 0.79 WNT3A (0.34) PTGESRAB9A
SCHEMBL899241 0.78 PDE2A (0.34) PTGESLMNARAB9AALDH1A1GAA
SCHEMBL898920 0.75 NR3C2 (0.37) 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 PTGES 1665/4885LMNA 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.