SCHEMBL6002505

SCHEMBL6002505

CCOC(=O)CCCCCNC(=O)n1ccc(C(=O)Nc2ncccc2C)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.62
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HTT P42858 1/20 0.37
USP2 O75604 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL6004843 0.86 ALOX15 (0.69) ALOX15NAMPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6003798 0.82 ALOX15 (0.63) ALOX15NAMPTALDH1A1KMT2AUSP2
SCHEMBL6002607 0.78 ALOX15 (0.65) ALOX15NAMPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6004193 0.77 ALOX15 (0.73) ALOX15NAMPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6003810 0.76 ALOX15 (0.53) ALOX15NAMPTALDH1A1KMT2ACYP3A4
SCHEMBL6004374 0.76 ALOX15 (0.61) ALOX15NAMPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6003826 0.73 ALOX15 (0.67) ALOX15NAMPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3915623 0.73 ALOX15 (0.65) ALOX15NAMPTALDH1A1KMT2ANPC1
SCHEMBL1578517 0.69 NPC1 (0.57) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28694103 0.67 EPHX1 (0.56) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1

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.