SCHEMBL1008018

SCHEMBL1008018

CCOC(=O)c1csc2c1CCN(C)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 8/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 5/20 0.38
HPGD P15428 5/20 0.38
POLB P06746 2/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RECQL P46063 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 5/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 3/20 0.36
GLA P06280 1/20 0.36

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
SCHEMBL1006796 0.80 LRRK2 (0.39) ALDH1A1LMNAKDM4EHPGDTSHR
SCHEMBL27302042 0.80 ADORA1 (0.43) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5358780 0.77 ALDH1A1 (0.54) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14831646 0.75 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL1007527 0.75 ALDH1A1 (0.47) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5358551 0.74 L3MBTL1 (0.40) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL14341897 0.71 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL30772837 0.70 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL5260554 0.69 MAPT (0.62) MEN1KMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL1379362 0.69 MAPT (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 MEN1 1454/4885KMT2A 1139/4885ALDH1A1 614/4885

“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.