SCHEMBL21884557

SCHEMBL21884557

N#Cc1ccc(O)c(C(=O)N=C2NCCCN2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
FASN P49327 2/20 0.32
ALDH1A1 P00352 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR2 P34972 1/20 0.31
MDM2 Q00987 1/20 0.31
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
GPR55 Q9Y2T6 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 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
SCHEMBL21884792 0.95 MAOA (0.37) MAOAMAOBFASNALDH1A1SLC22A12
SCHEMBL23854876 0.85 MAOA (0.36) MAOAMAOBFASNALDH1A1MDM2
SCHEMBL23854874 0.85 MAOA (0.36) MAOAMAOBFASNCNR2KCNH2
SCHEMBL21884558 0.84 MAOA (0.34) MAOAMAOBALDH1A1HPGD
SCHEMBL23854894 0.84 MAOA (0.34) MAOAMAOBALDH1A1HPGD
SCHEMBL23854845 0.83 KDM4E (0.38) FASNALDH1A1MAPTTSHRMEN1
SCHEMBL21884795 0.82 KDM4E (0.38) FASNALDH1A1MEN1KMT2A
SCHEMBL23854838 0.82 AR (0.34) MAOAMAOBFASNCNR2
SCHEMBL23854848 0.82 KDM5A (0.35) FASN
SCHEMBL23854865 0.80 KDM4E (0.43) ALDH1A1MAPTMAPK1HPGD

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 MAOA 2348/4885MAOB 2027/4885FASN 2903/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MAOA 4473/4885MAOB 4461/4885FASN 3814/4885

“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.