SCHEMBL4193567

SCHEMBL4193567

O=C(Nc1ccc(Br)cc1OC(F)(F)F)c1cc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.46
PTGFR P43088 1/20 0.44
KDR P35968 3/20 0.42
TEK Q02763 2/20 0.42
EPHB4 P54760 1/20 0.42
PYGL P06737 3/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GPR35 Q9HC97 1/20 0.37
EPHX2 P34913 1/20 0.37
XDH P47989 1/20 0.36

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
SCHEMBL4191839 0.86 PYGL (0.39) IDH1PTGFRKDRPYGLCNR2
SCHEMBL4199019 0.81 ALDH1A1 (0.55) KDRTEKEPHB4NPC1HPGD
SCHEMBL12479066 0.77 IDH1 (0.50) IDH1PTGFRKDRTEKEPHB4
SCHEMBL14852288 0.77 MAPT (0.57) PTGFRMEN1KMT2AGPR35MAPT
SCHEMBL3503509 0.76 ALDH1A1 (0.50) IDH1PTGFRKDRTEKEPHB4
SCHEMBL1242223 0.73 IDH1 (0.47) IDH1PTGFRKDRTEKEPHB4
SCHEMBL24427621 0.72 IDH1 (0.48) IDH1PTGFRKDRTEKEPHB4
SCHEMBL30832668 0.72 IDH1 (0.48) IDH1PTGFRKDRTEKEPHB4
SCHEMBL4201444 0.71 ALOX15 (0.51) RAB9ASMN1; SMN2MAPT
SCHEMBL420393 0.70 IDH1 (0.52) IDH1PTGFRKDRTEKEPHB4

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-20090088463-A1 Pyrazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-04-02 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-20090088463-A1 Pyrazoles Useful in the Treatment of Inflammation ALOX15, ALOX5, ALOX15B IDH1 1766/4885PTGFR 554/4885KDR 4692/4885

“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.