SCHEMBL899241

SCHEMBL899241

COc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Cl)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.34
PDE10A Q9Y233 3/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 2/20 0.33
PTGES O14684 1/20 0.32
PIK3CD O00329 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
GNRHR P30968 1/20 0.31
P2RX7 Q99572 1/20 0.31
LCK P06239 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 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 0.95 RAB9A (0.34) PDE2APDE10AMAPTRAB9AP2RX7
SCHEMBL898872 0.90 WNT3A (0.34) PDE2APDE10ARAB9APTGES
SCHEMBL898061 0.90 PDE2A (0.33) PDE2APDE10AMAPTLMNARAB9A
SCHEMBL899116 0.85 PTGES (0.34) PDE2APDE10AMAPTLMNARAB9A
SCHEMBL898935 0.83 NR3C2 (0.36) P2RX7
SCHEMBL898064 0.83 MAPK14 (0.33) LMNAP2RX7KMT2AGAA
SCHEMBL898888 0.80 PDE10A (0.36) PDE2APDE10AMAPTSMN1; SMN2P2RX7
SCHEMBL898920 0.78 NR3C2 (0.37)
SCHEMBL898800 0.78 PTGES (0.34) LMNARAB9APTGESGNRHRLCK
SCHEMBL899181 0.75 NR3C2 (0.31) P2RX7

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 1682/4885MAPT 3393/4885

“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.