SCHEMBL23875124

SCHEMBL23875124

Cn1cc(-c2c(C#N)ccc(OCc3ccccc3)c2C(=O)OC(C)(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
XDH P47989 5/20 0.45
LRRK2 Q5S007 1/20 0.43
MERTK Q12866 1/20 0.41
RET P07949 6/20 0.40

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
SCHEMBL23875125 0.89 XDH (0.54) XDHLRRK2
SCHEMBL21884495 0.86 XDH (0.47) XDH
SCHEMBL23875122 0.81 XDH (0.43) XDHLRRK2MERTKRET
SCHEMBL23875123 0.79 LRRK2 (0.42) XDHLRRK2MERTKRET
SCHEMBL21884506 0.78 XDH (0.47) XDH
SCHEMBL21884589 0.77 XDH (0.46) XDH
SCHEMBL24066320 0.75 XDH (0.50) XDH
SCHEMBL21884585 0.72 XDH (0.41) XDH
SCHEMBL21884509 0.72 XDH (0.60) XDH
SCHEMBL23875033 0.71 XDH (0.39) XDH

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
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 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 (2 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 XDH 1075/4885LRRK2 3750/4885MERTK 3488/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 XDH 4012/4885LRRK2 623/4885MERTK 3808/4885

“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.