SCHEMBL6004365

SCHEMBL6004365

CCCCCNC(=O)n1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2Br)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.61
KMT2A Q03164 2/20 0.43
F2 P00734 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
MCHR1 Q99705 1/20 0.42
NPC1 O15118 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.39
KDR P35968 1/20 0.38
ASAH1 Q13510 1/20 0.38

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
SCHEMBL6003781 0.77 NPY5R (0.49) KMT2AALDH1A1POLBGAATHRB
SCHEMBL2907641 0.76 ALOX15 (1.00) ALOX15KMT2AF2ALDH1A1NPC1
SCHEMBL6003902 0.75 ALOX15 (0.63) ALOX15KMT2AALDH1A1POLBGAA
SCHEMBL3989236 0.73 ALOX15 (0.94) ALOX15KMT2AF2ALDH1A1NPC1
SCHEMBL6003857 0.71 ALOX15 (0.69) ALOX15KMT2APOLBNPC1RAB9A
SCHEMBL4199019 0.69 ALDH1A1 (0.55) ALOX15KMT2AALDH1A1POLBGAA
SCHEMBL9475099 0.68 POLB (0.65) KMT2AALDH1A1POLBGAATHRB
SCHEMBL6002665 0.67 ALOX15 (0.64) ALOX15ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6004808 0.67 ALOX15 (0.56) ALOX15KMT2AALDH1A1POLBGAA
SCHEMBL6003834 0.67 ALOX15 (0.52) ALOX15ALDH1A1POLBSMN1; SMN2LMNA

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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-08-17 US disclosed
EP-1603897-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2005-12-14 EP disclosed
WO-2004080999-A1 PYRAZOLE COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2004-09-23 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-20060183780-A1 Pyrazole compounds useful in the treatment of inflammation ALOX15, ALOX12, ALOX15B ALOX15 1/4885KMT2A 4358/4885F2 99/4885

“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.