SCHEMBL6003902

SCHEMBL6003902

O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1ccn(C(=O)Nc2ccc3c(c2)OCO3)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.63
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
ABL1 P00519 1/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
KDR P35968 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6003781 0.82 NPY5R (0.49) MAPTKMT2AMEN1POLBGAA
SCHEMBL6004357 0.80 ALOX15 (0.74) ALOX15RAB9ANPC1MAPTKMT2A
SCHEMBL6004189 0.78 ALOX15 (0.66) ALOX15RAB9ANPC1MAPTKMT2A
SCHEMBL6004187 0.77 ALOX15 (0.67) ALOX15RAB9ANPC1MAPTKMT2A
SCHEMBL6004365 0.75 ALOX15 (0.61) ALOX15RAB9ANPC1KMT2APOLB
SCHEMBL6004044 0.74 ALOX15 (0.74) ALOX15RAB9ANPC1MAPTKMT2A
SCHEMBL6002665 0.73 ALOX15 (0.64) ALOX15RAB9ANPC1ABL1ALDH1A1
SCHEMBL6003943 0.68 TP53 (0.53) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6002626 0.68 TP53 (0.52) RAB9ANPC1MAPTKMT2AMEN1
SCHEMBL6004808 0.68 ALOX15 (0.56) ALOX15RAB9ANPC1MAPTKMT2A

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.