SCHEMBL21884546

SCHEMBL21884546

Nc1nc(-c2cc(Cl)ccc2O)cc(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.49
XDH P47989 7/20 0.49
IDO1 P14902 1/20 0.47
PABPC1 P11940 1/20 0.43
PIM1 P11309 2/20 0.42
CYP3A4 P08684 1/20 0.42
BLM P54132 1/20 0.42
TYMS P04818 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL21885713 0.80 XDH (0.61) XDHPABPC1CYP3A4BLMMEN1
SCHEMBL21884348 0.79 XDH (0.60) XDHPABPC1CYP3A4BLMMAPT
SCHEMBL21884347 0.79 XDH (0.60) XDHPABPC1
SCHEMBL4291570 0.72 HSP90AA1 (0.66) AGPAT2IDO1MEN1ALDH1A1MAPT
SCHEMBL16753409 0.71 GSK3B (0.48) AGPAT2XDHIDO1PIM1TYMS
SCHEMBL25367941 0.70 XDH (0.59) XDHCYP3A4BLMTYMSMEN1
SCHEMBL14920216 0.69 AGPAT2 (0.50) AGPAT2IDO1PIM1MEN1ALDH1A1
SCHEMBL3277693 0.69 ALDH1A1 (0.61) AGPAT2IDO1PIM1ALDH1A1MAPT
SCHEMBL14920005 0.69 HTR3E (0.53) AGPAT2IDO1PIM1TYMSMEN1
SCHEMBL4142364 0.68 XDH (0.61) XDHCYP3A4BLM

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 4 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-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 AGPAT2 313/4885XDH 1075/4885IDO1 4441/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 AGPAT2 3922/4885XDH 4012/4885IDO1 4808/4885

“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.