SCHEMBL332276

SCHEMBL332276

O=C(Nc1cc(F)cc(F)c1)C1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.56
SLC6A9 P48067 1/20 0.54
HDAC1 Q13547 6/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC3 O15379 2/20 0.53
MAPK10 P53779 4/20 0.52
MAPK8 P45983 3/20 0.52
MAPK14 Q16539 3/20 0.52
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SHMT2 P34897 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ABL1 P00519 1/20 0.45

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
SCHEMBL8410878 0.91 MAP4K4 (0.52) MAP4K4SLC6A9HDAC1HDAC2HDAC3
SCHEMBL15587796 0.90 NPSR1 (0.59) MAP4K4SLC6A9HDAC1HDAC2HDAC3
SCHEMBL17896325 0.86 MAP4K4 (0.48) MAP4K4SLC6A9HDAC1HDAC2HDAC3
SCHEMBL19015883 0.86 SMN1; SMN2 (0.50) MAP4K4SLC6A9HDAC1HDAC2HDAC3
SCHEMBL28872344 0.84 SMN1; SMN2 (0.56) MAP4K4HDAC1HDAC2HDAC3MAPK10
SCHEMBL2245967 0.83 NPSR1 (0.62) SLC6A9HDAC1HDAC2HDAC3LMNA
SCHEMBL8408804 0.78 F10 (0.53)
SCHEMBL21923085 0.76 PIP5K1C (0.54) MAP4K4MAPK10MAPK8MAPK14MEN1
SCHEMBL15886294 0.76 BACE1 (0.53) HDAC1HDAC2HDAC3MAPK10MAPK8
SCHEMBL9940282 0.76 HPGD (0.69) HDAC1HDAC2HDAC3MAPK10MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAP4K4 2964/4885SLC6A9 4523/4885HDAC1 1673/4885

“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.