SCHEMBL6204839

SCHEMBL6204839

CCCCc1csc(-c2ccccc2N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 3/20 0.42
GCGR P47871 1/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
NOS1 P29475 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL6223768 0.95 GCGR (0.46) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL6203530 0.90 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL6226222 0.83 ALDH1A1 (0.47) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL28730380 0.81 KCNH2 (0.41) LMNASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL7693035 0.81 LMNA (0.61) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL6415273 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL27835698 0.77 GAA (0.44) ALDH1A1TDP1LMNASMN1; SMN2RAB9A
SCHEMBL6415541 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2
SCHEMBL27629615 0.76 LMNA (0.59) ALDH1A1LMNASMN1; SMN2RAB9ANPC1
SCHEMBL6225424 0.75 ALDH1A1 (0.43) ALDH1A1L3MBTL1TDP1LMNASMN1; SMN2

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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 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 (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.