SCHEMBL4197851

SCHEMBL4197851

O=C(Nc1ccc(F)c(F)c1F)c1cc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 2/20 0.44
EPHX2 P34913 6/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL4202584 0.81 RAB9A (0.51) POLBNPC1HTTRAB9ASMN1; SMN2
SCHEMBL4186735 0.77 ALOX15 (0.65) KMT2ATP53
SCHEMBL4203660 0.76 TMPRSS4 (0.56) MEN1KMT2ACA12CA1CA2
SCHEMBL23246094 0.76 RAB9A (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL4198230 0.76 ALOX15 (0.63) POLBNPC1RAB9ARXFP1ALDH1A1
SCHEMBL169574 0.75 ALOX15 (0.47) HTTRAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL561714 0.75 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL4199011 0.74 NPC1 (0.53) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6003847 0.74 NPC1 (0.57) NPC1HTTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4201444 0.73 ALOX15 (0.51) HTTRAB9ASMN1; SMN2TP53

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 POLB 2613/4885NPC1 2317/4885HTT 4152/4885

“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.