SCHEMBL332337

SCHEMBL332337

Cn1nccc1C(O)c1ccc(F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.42
SCN10A Q9Y5Y9 1/20 0.38
KCNH2 Q12809 2/20 0.36
PRKDC P78527 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HSD11B1 P28845 1/20 0.34
NR3C2 P08235 3/20 0.34
MDM2 Q00987 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
GRM2 Q14416 1/20 0.33
F2RL1 P55085 3/20 0.33
GPR139 Q6DWJ6 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL4900429 0.82 KDM4C (0.38) ALDH1A1MAPT
SCHEMBL332464 0.81 SYK (0.36) P2RX7HSD11B1GRM2F2RL1DPP4
SCHEMBL15212826 0.74 GAA (0.40) P2RX7HSD11B1NR3C2MDM2F2RL1
SCHEMBL15212680 0.73 SCN10A (0.40) P2RX7SCN10AHSD11B1GRM2F2RL1
SCHEMBL17865254 0.71 APLNR (0.41) KCNH2PRKDCGRM2F2RL1
SCHEMBL17242696 0.70 P2RX7 (0.38) P2RX7HSD11B1NR3C2LMNATP53
SCHEMBL17865255 0.70 PRKDC (0.38) KCNH2PRKDCLMNA
SCHEMBL19791286 0.69 GRM2 (0.40) P2RX7SCN10AKCNH2GRM2F2RL1
SCHEMBL4899497 0.69 HTT (0.45) KCNH2PRKDCALDH1A1MAPTLMNA
SCHEMBL23212834 0.69 PDE2A (0.59) KCNH2NR3C2MDM2LMNATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013126283-A1 FUNGICIDAL PYRAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-08-29 WO disclosed
US-8097733-B2 Pyrazole derivatives as 5-LO-inhibitors PFIZER INC. (US) 2012-01-17 US disclosed
EP-2225229-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS Pfizer Inc. (US) 2010-09-08 EP disclosed
US-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors PFIZER INC. 2009-09-10 US disclosed
WO-2009069044-A1 PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS PFIZER INC. (US) 2009-06-04 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-20090227634-A1 Pyrazole Derivatives as 5-LO-Inhibitors ALOX5, ALOX15, CYP3A5 P2RX7 358/4885SCN10A 3769/4885KCNH2 3386/4885

“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.