SCHEMBL5386833

SCHEMBL5386833

CC(=O)N1CCc2ncc(N)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
ENPP2 Q13822 1/20 0.44
BAZ2B Q9UIF8 1/20 0.40
NR1H2 P55055 1/20 0.39
OGA O60502 1/20 0.39
HSP90AB1 P08238 2/20 0.39
F12 P00748 1/20 0.38
HSP90AA1 P07900 2/20 0.38
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GRM5 P41594 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL12004429 0.87 PTGS1 (0.40) NR1H2HSP90AB1HSP90AA1PTGS1
SCHEMBL31553955 0.85 F12 (0.41) BAZ2BNR1H2HSP90AB1F12HSP90AA1
SCHEMBL16592794 0.82 NOTUM (0.46) NOTUMENPP2BAZ2BHSP90AB1HSP90AA1
SCHEMBL31553956 0.81 NR1H2 (0.40) NR1H2HSP90AB1PIK3CA
SCHEMBL3002453 0.81 NR1H2 (0.64) NR1H2F12
SCHEMBL29507818 0.81 NR1H2 (0.64) NR1H2F12
SCHEMBL31553947 0.80 LMNA (0.40) HSP90AB1HSP90AA1
SCHEMBL13226306 0.80 PTGS1 (0.60) HSP90AB1PTGS1
SCHEMBL10312981 0.78 NOTUM (0.42) NOTUMENPP2OGAHSP90AA1HRH3
SCHEMBL5470665 0.78 BAZ2B (0.45) NOTUMENPP2BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation BIOLIPOX AB (SE) 2007-09-27 US disclosed
EP-1794145-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-06-13 EP disclosed
WO-2006032851-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-03-30 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-20070225318-A1 Pyrazole Compounds Useful In The Treatment Of Inflammation ALOX15, ALOX15B, ALOX12 NOTUM 1988/4885ENPP2 633/4885BAZ2B 727/4885

“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.