SCHEMBL6003826

SCHEMBL6003826

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.67
KMT2A Q03164 2/20 0.41
NAMPT P43490 2/20 0.39
NPC1 O15118 2/20 0.39
NFKB1 P19838 2/20 0.39
RAB9A P51151 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
F2 P00734 1/20 0.38
HDAC1 Q13547 3/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL6004365 0.89 ALOX15 (0.61) ALOX15KMT2ANAMPTNPC1NFKB1
SCHEMBL2909325 0.80 ALOX15 (1.00) ALOX15KMT2ANAMPTNPC1LMNA
SCHEMBL6003834 0.80 ALOX15 (0.52) ALOX15NAMPTSMN1; SMN2LMNAALDH1A1
SCHEMBL6002607 0.78 ALOX15 (0.65) ALOX15KMT2ANAMPTNPC1RAB9A
SCHEMBL6004843 0.76 ALOX15 (0.69) ALOX15KMT2ANAMPTNPC1RAB9A
SCHEMBL6004193 0.75 ALOX15 (0.73) ALOX15KMT2ANAMPTNPC1RAB9A
SCHEMBL6003781 0.74 NPY5R (0.49) KMT2ASMN1; SMN2LMNAALDH1A1POLB
SCHEMBL6003798 0.73 ALOX15 (0.63) ALOX15KMT2ANAMPTALDH1A1F2
SCHEMBL6002505 0.73 ALOX15 (0.62) ALOX15KMT2ANAMPTNPC1RAB9A
SCHEMBL6003902 0.72 ALOX15 (0.63) ALOX15KMT2ANPC1RAB9ASMN1; SMN2

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 1 patent. 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

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 4358/4885NAMPT 1461/4885

“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.