SCHEMBL21884582

SCHEMBL21884582

N#Cc1ccc(O)c(C(=O)NC2=NCC(F)(F)CN2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
UBE2N P61088 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
HDAC1 Q13547 3/20 0.31
LMNA P02545 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
ITGB3 P05106 2/20 0.30
ITGAV P06756 2/20 0.30
ITGB6 P18564 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL21884448 0.89 MAPT (0.35) MAPTUBE2NTSHRMEN1KMT2A
SCHEMBL23854859 0.84 CYP11B2 (0.37) KCNH2
SCHEMBL21884617 0.83 MAPT (0.35) MAPTUBE2NTSHRMEN1KMT2A
SCHEMBL21884655 0.83 LRRK2 (0.36) ADORA2A
SCHEMBL21884578 0.82 ITGB3 (0.36) MAPTUBE2NTSHRMEN1KMT2A
SCHEMBL21884577 0.79 MAPT (0.35) MAPTUBE2NTSHRMEN1KMT2A
SCHEMBL21884465 0.79 AR (0.33) ALDH1A1POLB
SCHEMBL21884632 0.79 CCNT1 (0.40)
SCHEMBL21884500 0.77 WDR5 (0.33)
SCHEMBL21884419 0.77 WNT3A (0.34) MAOB

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 MAPT 2458/4885UBE2N 4756/4885TSHR 2720/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MAPT 1754/4885UBE2N 2141/4885TSHR 4032/4885

“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.