SCHEMBL21884627

SCHEMBL21884627

Cc1ccccc1-c1c(C#N)ccc(O)c1C(=O)NC(=N)N

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.33
AR P10275 2/20 0.33
PGR P06401 1/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 1/20 0.33
CTSA P10619 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LRRK2 Q5S007 1/20 0.32
LMNA P02545 3/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 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
SCHEMBL23854887 0.91 PKMYT1 (0.35) PPIAARPGRTSHRCTSA
SCHEMBL21884631 0.89 ESR2 (0.36) PPIAARPGRADORA2AADORA1
SCHEMBL21885698 0.89 PPIA (0.33) PPIAARCTSA
SCHEMBL21884788 0.86 PPIA (0.40) PPIAARPGRMEN1KMT2A
SCHEMBL21884434 0.86 L3MBTL1 (0.38) PPIAARTSHRMEN1KMT2A
SCHEMBL21884591 0.85 PGR (0.44) ARPGRMEN1KMT2ALMNA
SCHEMBL23854842 0.84 PPIA (0.35) PPIAPGRLMNAALDH1A1
SCHEMBL21884394 0.84 MAPT (0.34) PPIATSHRMEN1KMT2ALMNA
SCHEMBL21884635 0.83 AR (0.44) PPIAARPGRTSHRKMT2A
SCHEMBL21884597 0.83 ALDH1A1 (0.37) PPIAARADORA2AMEN1KMT2A

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 PPIA 1961/4885AR 3072/4885PGR 3024/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PPIA 2399/4885AR 4315/4885PGR 4621/4885

“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.