SCHEMBL21884583

SCHEMBL21884583

CC1(C)CN=C(NC(=O)c2c(O)ccc(C#N)c2Oc2ccccc2)NC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 7/20 0.35
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LRRK2 Q5S007 1/20 0.32
PLA2G7 Q13093 1/20 0.31
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ATM Q13315 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21884454 0.88 EZH2 (0.38) EZH2LRRK2
SCHEMBL21884456 0.88 EZH2 (0.38) EZH2ALDH1A1LMNASMN1; SMN2
SCHEMBL21884448 0.84 MAPT (0.35) EZH2HSD17B10KDM4EALDH1A1NPC1
SCHEMBL21884573 0.84 ADRA2A (0.35) HSD17B10KDM4ELRRK2PLA2G7NPC1
SCHEMBL21884549 0.76 EZH2 (0.33) EZH2HSD17B10KDM4EPLA2G7
SCHEMBL21884422 0.76 CYP11B1 (0.38) LRRK2
SCHEMBL21884605 0.76 CCNT1 (0.40)
SCHEMBL21884504 0.74 LRRK2 (0.35) LRRK2
SCHEMBL21884359 0.74 RIPK3 (0.32) ALDH1A1POLB
SCHEMBL21884582 0.73 MAPT (0.33) KDM4EALDH1A1MEN1LMNAPOLB

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 EZH2 4287/4885HSD17B10 1041/4885KDM4E 2932/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 EZH2 3960/4885HSD17B10 3277/4885KDM4E 4324/4885

“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.