SCHEMBL6003943

SCHEMBL6003943

O=C(Nc1c(Cl)cccc1Cl)c1ccn(C(=O)Nc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.53
TDP1 Q9NUW8 1/20 0.48
PTGS2 P35354 1/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CHRNA7 P36544 1/20 0.46
TRPM8 Q7Z2W7 4/20 0.46
ABL1 P00519 2/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
XBP1 P17861 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
EPHX2 P34913 3/20 0.45
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL6002665 0.82 ALOX15 (0.64) TP53ABL1RAB9ANPC1L3MBTL1
SCHEMBL6002626 0.80 TP53 (0.52) TP53HTTSMN1; SMN2ABL1KMT2A
SCHEMBL6003781 0.72 NPY5R (0.49) TP53TDP1HTTSMN1; SMN2KMT2A
SCHEMBL17448399 0.71 SMN1; SMN2 (0.71) TP53HTTSMN1; SMN2ABL1KMT2A
SCHEMBL10795715 0.69 TDP1 (0.75) TP53TDP1PTGS2HTTSMN1; SMN2
SCHEMBL6716560 0.68 TDP1 (0.62) TDP1PTGS2HTTSMN1; SMN2ABL1
SCHEMBL6683080 0.67 TDP1 (0.56) TDP1PTGS2HTTSMN1; SMN2CHRNA7
SCHEMBL29699885 0.67 TP53 (0.52) TP53HTTSMN1; SMN2ABL1KMT2A
SCHEMBL2533682 0.67 NPC1 (0.71) TP53HTTSMN1; SMN2ABL1KMT2A
SCHEMBL30904871 0.67 NPC1 (0.71) TP53HTTSMN1; SMN2ABL1KMT2A

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 TP53 2001/4885TDP1 2603/4885PTGS2 23/4885

“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.