SCHEMBL6004378

SCHEMBL6004378

CCOC(=O)CCCCCNC(=O)n1ccc(C(=O)N(Cc2ccccc2)C2=COCO2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
NAMPT P43490 2/20 0.44
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LTA4H P09960 1/20 0.35
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
EPHX2 P34913 1/20 0.33
ALOX5 P09917 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
SCHEMBL6003810 0.73 ALOX15 (0.53) ALOX15NAMPTALDH1A1KMT2ALTA4H
SCHEMBL6004374 0.72 ALOX15 (0.61) ALOX15NAMPTALDH1A1MAPK1KMT2A
SCHEMBL3915623 0.71 ALOX15 (0.65) ALOX15NAMPTALDH1A1MAPK1KMT2A
SCHEMBL6002505 0.67 ALOX15 (0.62) ALOX15NAMPTALDH1A1MAPK1KMT2A
SCHEMBL6004843 0.67 ALOX15 (0.69) ALOX15NAMPTALDH1A1MAPK1KMT2A
SCHEMBL976808 0.66 ALDH1A1 (0.42) ALDH1A1LTA4HPOLBALOX5
SCHEMBL6003798 0.66 ALOX15 (0.63) ALOX15NAMPTALDH1A1KMT2A
SCHEMBL6002607 0.66 ALOX15 (0.65) ALOX15NAMPTALDH1A1KMT2AEPHX2
SCHEMBL6004193 0.65 ALOX15 (0.73) ALOX15NAMPTALDH1A1KMT2A
SCHEMBL3710724 0.63 NAMPT (1.00) NAMPT

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 1/4885NAMPT 1461/4885ALDH1A1 763/4885

“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.