SCHEMBL23854850

SCHEMBL23854850

COc1ncccc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.35
BTK Q06187 1/20 0.34
AR P10275 3/20 0.34
HDAC6 Q9UBN7 1/20 0.33
GPR6 P46095 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
NAAA Q02083 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PGR P06401 1/20 0.31
SSTR4 P31391 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21884483 0.87 AR (0.31) ARGPR6HCRTR1HCRTR2
SCHEMBL23854839 0.87 MKNK1 (0.32) ALDH1A1MAPT
SCHEMBL23854841 0.87 PDE4A (0.32)
SCHEMBL23854862 0.85 PGR (0.40) ARPGRALDH1A1MAPTL3MBTL1
SCHEMBL21884484 0.84 DRD2 (0.33) ARPGRALDH1A1MAPT
SCHEMBL21884654 0.83 PDE4A (0.31)
SCHEMBL21884482 0.83 GPBAR1 (0.31)
SCHEMBL21884537 0.82 AR (0.31) ARPGRHCRTR1HCRTR2
SCHEMBL23854872 0.82 HCRTR1 (0.34) ARPGRHCRTR1HCRTR2
SCHEMBL23854855 0.82 KDM4E (0.32) ARPGRALDH1A1MAPTL3MBTL1

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 4 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-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
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 SCN9A 1777/4885BTK 4754/4885AR 3072/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 SCN9A 2850/4885BTK 3549/4885AR 4315/4885

“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.