SCHEMBL21884399

SCHEMBL21884399

Cc1ccc(Cl)c(-c2c(C#N)ccc(O)c2C(=O)NC(=N)N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
PPIA P62937 1/20 0.35
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
AGPAT2 O15120 1/20 0.33
S1PR3 Q99500 6/20 0.32
KMT2A Q03164 6/20 0.32
MEN1 O00255 5/20 0.32
S1PR1 P21453 5/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
S1PR4 O95977 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
S1PR2 O95136 2/20 0.32
HTT P42858 2/20 0.32

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
SCHEMBL21884530 0.89 TMPRSS4 (0.40) ALDH1A1PPIAF2F10PLAU
SCHEMBL21885702 0.87 PPIA (0.35) GAAPPIAS1PR3KMT2AMEN1
SCHEMBL21884534 0.87 PPIA (0.35) PPIAF2F10PLAUPLAT
SCHEMBL21884664 0.87 F2 (0.37) GAAKDM4EALDH1A1HPGDF2
SCHEMBL21884460 0.85 BIRC5 (0.40) ALDH1A1PPIAAGPAT2SMN1; SMN2HTT
SCHEMBL21884434 0.84 L3MBTL1 (0.38) GAAKDM4EALDH1A1HPGDPPIA
SCHEMBL21884394 0.83 MAPT (0.34) GAAKDM4EALDH1A1HPGDPPIA
SCHEMBL21884453 0.82 KDM4E (0.34) GAAKDM4EALDH1A1HPGDF2
SCHEMBL21884648 0.81 CNR2 (0.37) KDM4EALDH1A1HPGDF2F10
SCHEMBL21884447 0.80 CNR2 (0.35) S1PR3

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 GAA 220/4885KDM4E 2932/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 GAA 666/4885KDM4E 4324/4885ALDH1A1 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.