SCHEMBL23854865

SCHEMBL23854865

COc1cccc(-c2c(C#N)ccc(O)c2C(=O)N=C2NCCN2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLA P06280 2/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 2/20 0.40
MAPT P10636 1/20 0.40
PGR P06401 1/20 0.39
AR P10275 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
LRRK2 Q5S007 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MAPK1 P28482 1/20 0.36
ACLY P53396 1/20 0.36
GSK3B P49841 1/20 0.36
PLAU P00749 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL23854838 0.85 AR (0.34) ARACLY
SCHEMBL21884795 0.85 KDM4E (0.38) KDM4EALDH1A1GAALRRK2
SCHEMBL21884792 0.84 MAOA (0.37) KDM4EALDH1A1GAAHPGDXDH
SCHEMBL23854840 0.83 KDM5A (0.38) LRRK2
SCHEMBL21884799 0.82 PIM1 (0.35)
SCHEMBL21884557 0.80 MAOA (0.36) ALDH1A1HPGDMAPTMAPK1
SCHEMBL21885704 0.80 KDM5A (0.37) LRRK2
SCHEMBL23854862 0.80 PGR (0.40) KDM4EALDH1A1L3MBTL1HPGDMAPT
SCHEMBL23854845 0.79 KDM4E (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL21884537 0.79 AR (0.31) PGRAR

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 KDM4E 2932/4885ALDH1A1 1823/4885L3MBTL1 1302/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885ALDH1A1 4382/4885L3MBTL1 54/4885

“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.