SCHEMBL21884411

SCHEMBL21884411

N#Cc1ccc(O)c(C(=O)Nc2ncc[nH]2)c1-c1cccc(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGES O14684 3/20 0.35
GRM4 Q14833 1/20 0.34
CDC7 O00311 1/20 0.34
ROCK2 O75116 1/20 0.34
CDK8 P49336 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
STK17A Q9UEE5 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
SCN9A Q15858 1/20 0.33
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
JAK2 O60674 1/20 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
SCHEMBL21884493 0.80 WDR5 (0.34) ALDH1A1NPSR1GRM4JAK2JAK1
SCHEMBL21884424 0.79 ITGB3 (0.32) ALDH1A1GRM4JAK2JAK1TYK2
SCHEMBL24066311 0.77
SCHEMBL21884436 0.77 CCNT1 (0.41) HPGDS
SCHEMBL21884443 0.76 PPIA (0.38) ALDH1A1HIF1ALMNAS1PR3
SCHEMBL21884409 0.75 PPIA (0.36) KDM4EALDH1A1LMNA
SCHEMBL23854867 0.74 PPIA (0.36)
SCHEMBL21884474 0.74 PPIA (0.36) LMNA
SCHEMBL23854869 0.74 PPIA (0.36)
SCHEMBL21884544 0.74 PPIA (0.36)

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 3 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
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 KDM4E 2932/4885ALDH1A1 1823/4885NPSR1 1956/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 KDM4E 4324/4885ALDH1A1 4382/4885NPSR1 4446/4885

“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.