SCHEMBL333035

SCHEMBL333035

NC(=O)C1(c2cccc(Br)c2F)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.40
ALOX5 P09917 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OPRL1 P41146 4/20 0.34
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL21805031 0.90 HDAC4 (0.45) HDAC4LMNAOPRL1
SCHEMBL30088123 0.90 HDAC4 (0.45) HDAC4LMNAOPRL1
SCHEMBL333238 0.80 OPRL1 (0.36) HDAC4ALOX5ALDH1A1LMNATSHR
SCHEMBL30991214 0.75 HDAC4 (0.46) HDAC4
SCHEMBL18742673 0.72 HDAC4 (0.62) HDAC4LMNAOPRL1
SCHEMBL1628115 0.72 HDAC4 (0.54) HDAC4ALDH1A1LMNATSHRNPSR1
SCHEMBL2702973 0.71 ALOX5 (0.50) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL333096 0.71 PDE1A (0.32) HDAC4ALDH1A1
SCHEMBL17025863 0.71 HDAC3 (0.46) HDAC4OPRL1
SCHEMBL2702113 0.71 OPRL1 (0.45) HDAC4OPRL1

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 HDAC4 3124/4885ALOX5 1/4885ALDH1A1 224/4885

“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.