SCHEMBL23854855

SCHEMBL23854855

COc1c(Cl)cccc1-c1c(C#N)ccc(O)c1C(=O)N=C1NCCN1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
FASN P49327 1/20 0.31
AR P10275 2/20 0.31
PGR P06401 1/20 0.31
CTSA P10619 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL21884537 0.89 AR (0.31) ARPGR
SCHEMBL23854872 0.89 HCRTR1 (0.34) ARPGRCTSA
SCHEMBL21884490 0.87 PIM1 (0.35) KDM4EALDH1A1HPGDLMNAHTT
SCHEMBL21884532 0.86 PGR (0.35) ALDH1A1FASNARPGRCTSA
SCHEMBL21884540 0.86 GAA (0.33) KDM4EALDH1A1L3MBTL1
SCHEMBL23854862 0.84 PGR (0.40) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL21884531 0.84 PDK2 (0.32)
SCHEMBL21884793 0.83 MEN1 (0.31) HPGDLMNAHTT
SCHEMBL21884535 0.83 AR (0.35) ALDH1A1FASNARPGRCTSA
SCHEMBL23854850 0.82 SCN9A (0.35) ALDH1A1MAPTL3MBTL1ARPGR

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 1823/4885MAPT 2458/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885ALDH1A1 4382/4885MAPT 1754/4885

“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.