SCHEMBL21884498

SCHEMBL21884498

COC(=O)c1c(OCc2ccccc2)ccc(C#N)c1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.48
MAOB P27338 1/20 0.46
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MRGPRX4 Q96LA9 2/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
AR P10275 1/20 0.42

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
SCHEMBL21807879 0.89 XDH (0.49) XDHMAOBFFAR1FFAR4MRGPRX4
SCHEMBL23874972 0.87 XDH (0.55) XDHMAOBFFAR1FFAR4MRGPRX4
SCHEMBL24066320 0.84 XDH (0.50) XDHMAOBMRGPRX4HPGDAR
SCHEMBL6817638 0.84 SGMS2 (0.47) XDHMRGPRX4LMNAHPGD
SCHEMBL21884785 0.83 MAOB (0.47) XDHMAOBMRGPRX4LMNAHPGD
SCHEMBL9724299 0.81 HPGD (0.56) FFAR4LMNAHPGD
SCHEMBL20944114 0.80 ALDH1A1 (0.49) HPGD
SCHEMBL9706364 0.79 MAOB (0.58) XDHMAOBFFAR1FFAR4MRGPRX4
SCHEMBL8143434 0.78 HPGD (0.54) XDHFFAR1FFAR4MRGPRX4LMNA
SCHEMBL1495210 0.77 MRGPRX4 (0.49) FFAR4MRGPRX4LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 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-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 XDH 4012/4885MAOB 4461/4885FFAR1 4719/4885

“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.