SCHEMBL899094

SCHEMBL899094

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
PDE2A O00408 2/20 0.33
PDE10A Q9Y233 2/20 0.33
MAPT P10636 1/20 0.32
APLNR P35414 2/20 0.31
P2RX7 Q99572 2/20 0.31
NPC1 O15118 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSA P10619 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
SCHEMBL899241 0.95 PDE2A (0.34) RAB9APDE2APDE10AMAPTP2RX7
SCHEMBL898872 0.93 WNT3A (0.34) RAB9APDE2APDE10A
SCHEMBL898061 0.93 PDE2A (0.33) RAB9APDE2APDE10AMAPTAPLNR
SCHEMBL898920 0.81 NR3C2 (0.37)
SCHEMBL898888 0.81 PDE10A (0.36) PDE2APDE10AMAPTP2RX7
SCHEMBL898800 0.81 PTGES (0.34) RAB9ANPC1TSHRHSD17B10
SCHEMBL899116 0.80 PTGES (0.34) RAB9APDE2APDE10AMAPTP2RX7
SCHEMBL899373 0.77 CRHR1 (0.35) RAB9APDE2APDE10AAPLNRNPC1
SCHEMBL898935 0.77 NR3C2 (0.36) P2RX7
SCHEMBL898064 0.77 MAPK14 (0.33) APLNRP2RX7

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 RAB9A 752/4885PDE2A 284/4885PDE10A 1682/4885

“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.