SCHEMBL21884446

SCHEMBL21884446

N=C(N)NC(=O)c1cc(-n2cccn2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.43
LMNA P02545 2/20 0.43
KLKB1 P03952 3/20 0.42
LRRK2 Q5S007 1/20 0.40
TBK1 Q9UHD2 4/20 0.40
GLS O94925 1/20 0.40
CAPN1 P07384 1/20 0.39
ERCC1 P07992 1/20 0.39
ERCC4 Q92889 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
G6PD P11413 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
IKBKE Q14164 2/20 0.37
NOTUM Q6P988 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL21885705 0.88 KAT6A (0.43) KAT6ALMNAKLKB1LRRK2TBK1
SCHEMBL8701419 0.80 ALDH1A1 (0.48) LMNAKDM4EALDH1A1GAAMAPT
SCHEMBL8703800 0.80 KAT6A (0.56) KAT6ALMNAKLKB1LRRK2TBK1
Hydrochloric Acid SCHEMBL8700513 0.79 KAT6A (0.55) KAT6ALMNAKLKB1LRRK2TBK1
SCHEMBL18397864 0.77 TP53 (0.45) KAT6ALMNALRRK2TBK1CAPN1
SCHEMBL29564059 0.74 KDM4E (0.45) KAT6ALMNAKLKB1LRRK2CAPN1
SCHEMBL8425453 0.72 CAPN1 (0.47) KAT6ALMNALRRK2TBK1CAPN1
SCHEMBL1316515 0.71 ACLY (0.49) KAT6ATBK1IKBKE
SCHEMBL3342457 0.70 LRRK2 (0.47) KAT6ALMNAKLKB1LRRK2TBK1
SCHEMBL1785239 0.70 CAPN1 (0.54) KAT6ALMNAKLKB1LRRK2TBK1

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 KAT6A 1412/4885LMNA 1819/4885KLKB1 436/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KAT6A 1651/4885LMNA 2213/4885KLKB1 3567/4885

“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.