SCHEMBL23854876

SCHEMBL23854876

CC1(C)CNC(=NC(=O)c2c(O)ccc(C#N)c2-c2ccccc2)NC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
KCNH2 Q12809 1/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HIF1A Q16665 1/20 0.32
MDM2 Q00987 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GALR3 O60755 1/20 0.30
GAA P10253 1/20 0.30
FASN P49327 1/20 0.30
GRIA4 P48058 1/20 0.30
KDM5A P29375 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
SCHEMBL23854874 0.89 MAOA (0.36) MAOAMAOBKCNH2FASN
SCHEMBL21884792 0.88 MAOA (0.37) MAOAMAOBKCNH2HPGDALDH1A1
SCHEMBL21884558 0.85 MAOA (0.34) MAOAMAOBHPGDALDH1A1HIF1A
SCHEMBL23854894 0.85 MAOA (0.34) MAOAMAOBHPGDALDH1A1HIF1A
SCHEMBL21884557 0.85 MAOA (0.36) MAOAMAOBKCNH2HPGDALDH1A1
SCHEMBL23854843 0.82 CYP11B2 (0.38)
SCHEMBL21884543 0.82 CYP11B1 (0.36) FASN
SCHEMBL21884549 0.82 EZH2 (0.33) MAOAMAOBKDM4E
SCHEMBL23854868 0.81 KDM5A (0.36) KDM5A
SCHEMBL23854875 0.81 CYP11B2 (0.40) GAA

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-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

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 2027/4885KCNH2 1433/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MAOA 4473/4885MAOB 4461/4885KCNH2 4705/4885

“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.