SCHEMBL3793533

SCHEMBL3793533

Fc1ccc(-n2c(COc3cccc4cnccc34)nc3cc(F)ccc32)c(Cl)c1

nearest known ligand 0.88

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.88
KCNA3 P22001 1/20 0.39
AOC3 Q16853 1/20 0.39
SCN9A Q15858 1/20 0.35
MAPT P10636 2/20 0.35
BDKRB2 P30411 1/20 0.35
CYP17A1 P05093 1/20 0.34
CYP1A2 P05177 1/20 0.34
NR2F2 P24468 2/20 0.34
RAB9A P51151 2/20 0.34
IDO1 P14902 1/20 0.33
GALR3 O60755 1/20 0.33
NR3C1 P04150 1/20 0.33
P2RX7 Q99572 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
SCHEMBL13153251 0.83 GPBAR1 (0.62) GPBAR1AOC3CYP17A1CYP1A2IDO1
SCHEMBL3716494 0.72 GPBAR1 (0.57) GPBAR1KCNA3BDKRB2RAB9A
SCHEMBL3714728 0.71 GPBAR1 (0.54) GPBAR1KCNA3SCN9ANR2F2RAB9A
SCHEMBL3721720 0.71 GPBAR1 (0.54) GPBAR1KCNA3SCN9ANR2F2RAB9A
SCHEMBL15426194 0.69 GPBAR1 (0.45) GPBAR1MAPTCYP1A2IDO1
SCHEMBL3713382 0.65 GPBAR1 (0.70) GPBAR1KCNA3SCN9ANR2F2RAB9A
SCHEMBL3723393 0.64 GPBAR1 (0.46) GPBAR1KCNA3BDKRB2NR2F2RAB9A
SCHEMBL31364101 0.64 KCNA3 (0.65) GPBAR1KCNA3MAPTCYP1A2NR2F2
SCHEMBL5445170 0.64 KCNA3 (0.65) GPBAR1KCNA3MAPTCYP1A2NR2F2
SCHEMBL2257440 0.64 GPBAR1 (0.48) GPBAR1KCNA3NR3C1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS VIKING THERAPEUTICS, INC. 2022-01-20 US disclosed
WO-2010117090-A1 NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO disclosed
WO-2010117090-A1 NOVEL ISOQUINOLINYLOXYMETHYL HETEROARYL DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-14 WO 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-20220016136-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF LIVER DISORDERS FABP1, SLC10A1, TSHR GPBAR1 15/4885KCNA3 4414/4885AOC3 1136/4885

“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.