SCHEMBL21884595

SCHEMBL21884595

N=C(N)NC(=O)c1c(O)ccc(Cl)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 4/20 0.39
FABP3 P05413 3/20 0.39
PPIA P62937 1/20 0.37
FABP5 Q01469 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAP2 P11137 2/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.34
F10 P00742 3/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 2/20 0.34
ALDH1A1 P00352 1/20 0.34
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33

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
SCHEMBL21884608 0.81 FABP4 (0.40) FABP4PPIAF10PLAUPLAT
SCHEMBL21884597 0.80 ALDH1A1 (0.37) PPIAHTTF10PLAUPLAT
SCHEMBL21884596 0.79 CYP3A4 (0.39) SCN5ASCN2AHTTF10PLAU
SCHEMBL21884599 0.78 HSD17B1 (0.35) SCN5ASCN2AF10PLAUPLAT
SCHEMBL21885683 0.77 PPIA (0.35) PPIAF10PLAUPLAT
SCHEMBL21884555 0.75 TP53 (0.37) FABP4FABP3PPIAFABP5THRA
SCHEMBL21884434 0.74 L3MBTL1 (0.38) PPIAHTTALDH1A1
SCHEMBL21884519 0.73 PIK3CA (0.36) THRBMAP2ALDH1A1
SCHEMBL21884572 0.72 TAS1R3 (0.33) PPIAHTTALDH1A1
SCHEMBL21884514 0.72 AR (0.38) PPIAESR2ALDH1A1

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 FABP4 1452/4885FABP3 304/4885PPIA 1961/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 FABP4 3408/4885FABP3 1630/4885PPIA 2399/4885

“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.