SCHEMBL6004357

SCHEMBL6004357

O=C(Nc1ccc2c(c1)OCO2)c1ccn(C(=O)Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.74
RAB9A P51151 13/20 0.61
NPC1 O15118 12/20 0.61
PKM P14618 2/20 0.61
SMN1; SMN2 Q16637 8/20 0.56
MAPT P10636 5/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
AHR P35869 1/20 0.54
HTT P42858 1/20 0.52

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
SCHEMBL6004189 0.90 ALOX15 (0.66) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6004044 0.90 ALOX15 (0.74) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6004808 0.84 ALOX15 (0.56) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6004187 0.83 ALOX15 (0.67) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6003902 0.80 ALOX15 (0.63) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL6004374 0.80 ALOX15 (0.61) ALOX15RAB9ANPC1PKMSMN1; SMN2
SCHEMBL27179668 0.73 RAB9A (0.90) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL3430181 0.73 ALDH1A1 (0.55) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL13210629 0.73 MAPT (0.81) RAB9ANPC1PKMSMN1; SMN2MAPT
SCHEMBL5460655 0.73 RAB9A (0.69) RAB9ANPC1PKMSMN1; SMN2MAPT

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 1/4885RAB9A 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.