SCHEMBL898888

SCHEMBL898888

COc1ccc(C(O)c2c(C)nc(Cl)n2-c2ccc(F)cc2Cl)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.36
PDE2A O00408 3/20 0.36
CRHR1 P34998 3/20 0.36
MDM2 Q00987 2/20 0.35
P2RX7 Q99572 4/20 0.35
HTR7 P34969 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MDM4 O15151 1/20 0.32
PDE7A Q13946 1/20 0.31
NR3C2 P08235 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
SCHEMBL900059 0.94 CRHR1 (0.38) PDE10APDE2ACRHR1MDM2P2RX7
SCHEMBL899125 0.87 NR3C2 (0.33) MDM2P2RX7NR3C2
SCHEMBL899094 0.81 RAB9A (0.34) PDE10APDE2AP2RX7MAPT
SCHEMBL899241 0.80 PDE2A (0.34) PDE10APDE2AP2RX7MAPTSMN1; SMN2
SCHEMBL899221 0.80 GLA (0.36) P2RX7NR3C2
SCHEMBL898897 0.78 NR3C2 (0.31) CRHR1NR3C2
SCHEMBL898872 0.77 WNT3A (0.34) PDE10APDE2A
SCHEMBL899181 0.76 NR3C2 (0.31) P2RX7NR3C2
SCHEMBL898061 0.76 PDE2A (0.33) PDE10APDE2ACRHR1MAPTMEN1
SCHEMBL14990208 0.76 MDM2 (0.32) MDM2P2RX7NR3C2

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 PDE10A 1682/4885PDE2A 284/4885CRHR1 4121/4885

“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.