SCHEMBL6004808

SCHEMBL6004808

CCCCCNC(=O)n1ccc(C(=O)Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.56
RAB9A P51151 12/20 0.53
NPC1 O15118 11/20 0.53
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 9/20 0.50
MAPT P10636 6/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6004374 0.88 ALOX15 (0.61) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6004357 0.84 ALOX15 (0.74) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6003857 0.80 ALOX15 (0.69) ALOX15RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL6003478 0.78 ALOX15 (0.60) ALOX15SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6004044 0.76 ALOX15 (0.74) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6004189 0.76 ALOX15 (0.66) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL14424472 0.74 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL2907641 0.72 ALOX15 (1.00) ALOX15RAB9ANPC1KMT2AALDH1A1
SCHEMBL6004187 0.72 ALOX15 (0.67) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL14338663 0.69 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTKMT2A

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 1/4885RAB9A 3284/4885NPC1 3112/4885

“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.