SCHEMBL21884591

SCHEMBL21884591

COc1ccccc1-c1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.44
AR P10275 2/20 0.44
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL21884659 0.90 PGR (0.38) PGRARKDM4EHTR2AHTR2C
SCHEMBL21884568 0.90 AR (0.38) PGRARALDH1A1HTR2AHTR2C
SCHEMBL21885734 0.88 CCNT1 (0.42) PGRARALDH1A1
SCHEMBL21884382 0.86 ALDH1A1 (0.37) PGRARALDH1A1KDM4E
SCHEMBL21884449 0.86 RORC (0.38) PGRARALDH1A1SMN1; SMN2GAA
SCHEMBL21884631 0.86 ESR2 (0.36) PGRARSMN1; SMN2GAAMEN1
SCHEMBL21884581 0.85 KCNMA1 (0.42) PGRARALDH1A1KDM4EHPGD
SCHEMBL21884627 0.85 PPIA (0.33) PGRARALDH1A1HSD17B10KDM4E
SCHEMBL21884434 0.83 L3MBTL1 (0.38) ARALDH1A1HSD17B10KDM4EHPGD
SCHEMBL21884788 0.83 PPIA (0.40) PGRARALDH1A1MAPTMEN1

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 5 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
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 (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 PGR 3024/4885AR 3072/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PGR 4621/4885AR 4315/4885ALDH1A1 4382/4885

“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.