SCHEMBL6415541

SCHEMBL6415541

CC(C)Cc1csc(-c2ccccc2N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39

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
SCHEMBL6225424 0.86 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL6226222 0.81 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL6415273 0.80 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL13310655 0.80 DRD2 (0.53) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPC1
SCHEMBL6203530 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL13615819 0.77 IDH1 (0.46) KDM4ENPC1RAB9ACSNK2A2CSNK2B
SCHEMBL6415421 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL6204839 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL12862618 0.75 PDE10A (0.58) ALDH1A1L3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL6229232 0.75 KDM4E (0.60) ALDH1A1SMN1; SMN2KDM4EMEN1MAPT

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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 ALDH1A1 2606/4885L3MBTL1 837/4885TDP1 3534/4885

“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.