SCHEMBL4191839

SCHEMBL4191839

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.39
CNR2 P34972 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
ALOX15 P16050 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTGFR P43088 1/20 0.35
EPHX2 P34913 1/20 0.35
TP53 P04637 1/20 0.34
IDH1 O75874 1/20 0.34
BRAF P15056 3/20 0.33
EGFR P00533 1/20 0.33
FGFR1 P11362 1/20 0.33
KDR P35968 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRA P18433 1/20 0.33

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
SCHEMBL4193567 0.86 IDH1 (0.46) PYGLCNR2XDHSLC22A12PTGFR
SCHEMBL17681585 0.77 ALDH1A1 (0.45) PYGLCNR2TRPV1EPHX2
SCHEMBL4199019 0.77 ALDH1A1 (0.55) ALOX15RXFP1BRAFKDRDHODH
SCHEMBL29699750 0.72 NPC1 (0.60) TRPV1EPHX2TP53
SCHEMBL4201444 0.72 ALOX15 (0.51) ALOX15TP53
SCHEMBL4202584 0.70 RAB9A (0.51) ALOX15RXFP1
SCHEMBL16517047 0.69 PYGL (0.40) PYGL
SCHEMBL18939276 0.69 HTT (0.56) CNR2TP53
SCHEMBL4186735 0.69 ALOX15 (0.65) ALOX15TP53
SCHEMBL4203660 0.69 TMPRSS4 (0.56) TRPV1IDH1BRAFKDR

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 PYGL 310/4885CNR2 768/4885TRPV1 1713/4885

“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.