SCHEMBL6004044

SCHEMBL6004044

O=C(Nc1ccc(F)c(Cl)c1)c1ccn(C(=O)Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.74
NPC1 O15118 13/20 0.63
RAB9A P51151 13/20 0.63
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL6004357 0.90 ALOX15 (0.74) ALOX15NPC1RAB9APKMSMN1; SMN2
SCHEMBL6004189 0.84 ALOX15 (0.66) ALOX15NPC1RAB9APKMSMN1; SMN2
SCHEMBL6004187 0.83 ALOX15 (0.67) ALOX15NPC1RAB9APKMSMN1; SMN2
SCHEMBL6004808 0.76 ALOX15 (0.56) ALOX15NPC1RAB9APKMSMN1; SMN2
SCHEMBL6003902 0.74 ALOX15 (0.63) ALOX15NPC1RAB9APKMSMN1; SMN2
SCHEMBL6003857 0.73 ALOX15 (0.69) ALOX15NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6004374 0.72 ALOX15 (0.61) ALOX15NPC1RAB9APKMSMN1; SMN2
SCHEMBL6004193 0.70 ALOX15 (0.73) ALOX15NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30926881 0.69 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL27179852 0.69 RAB9A (0.69) NPC1RAB9ASMN1; SMN2TP53MEN1

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 1/4885NPC1 3112/4885RAB9A 3284/4885

“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.