SCHEMBL21884669

SCHEMBL21884669

COc1ccc(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
NPSR1 Q6W5P4 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 7/20 0.38
KDM4E B2RXH2 6/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PGR P06401 2/20 0.36
AR P10275 2/20 0.36
GAA P10253 2/20 0.35
PIM1 P11309 1/20 0.35
FNTA P49354 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
SCHEMBL21884453 0.87 KDM4E (0.34) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL21884671 0.87 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTKDM4ELMNA
SCHEMBL21884649 0.86 CNR2 (0.35) ALDH1A1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL21884524 0.86 MMP3 (0.34) AR
SCHEMBL21884405 0.85 SSTR2 (0.35) ALDH1A1NPSR1L3MBTL1MAPTKDM4E
SCHEMBL21884519 0.85 PIK3CA (0.36) ALDH1A1L3MBTL1MAPTKDM4ELMNA
SCHEMBL21884520 0.85 AR (0.35) ALDH1A1LMNAARGAAGRIA2
SCHEMBL21884597 0.84 ALDH1A1 (0.37) ALDH1A1MAPTKDM4ELMNAMEN1
SCHEMBL21884458 0.83 S1PR3 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL21884588 0.82 CHUK (0.35) ALDH1A1MAPTKDM4ELMNAMEN1

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 ALDH1A1 1823/4885NPSR1 1956/4885L3MBTL1 1302/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ALDH1A1 4382/4885NPSR1 4446/4885L3MBTL1 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.