SCHEMBL13051112

SCHEMBL13051112

CNS(=O)(=O)c1ccc(Cn2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.54
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
ALDH1A1 P00352 1/20 0.51
USP2 O75604 3/20 0.49
TSHR P16473 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ELANE P08246 1/20 0.49
ATM Q13315 1/20 0.49
NPY1R P25929 1/20 0.47
NPY2R P49146 1/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MCL1 Q07820 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL3432205 0.91 RAB9A (0.51) IDH1RAB9ANPC1KMT2AMEN1
SCHEMBL3430712 0.91 RAB9A (0.52) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3428179 0.89 RAB9A (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3427388 0.89 RAB9A (0.49) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3430664 0.88 RAB9A (0.56) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3427905 0.88 MAPT (0.56) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3429942 0.87 TSHR (0.57) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3406432 0.87 RAB9A (0.61) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3426277 0.86 RAB9A (0.57) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL3759853 0.86 NPSR1 (0.56) RAB9ANPC1KMT2AMEN1USP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY BIOMARIN IGA LIMITED 2010-12-02 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 (1 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-20100305120-A1 COMPOUNDS FOR TREATING MUSCULAR DYSTROPHY CPT1B, SMN1; SMN2, GYS1 IDH1 1584/4885RAB9A 2878/4885NPC1 2272/4885

“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.