SCHEMBL6225037

SCHEMBL6225037

Nc1ccccc1-c1nc(-c2ccsc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SREBF2 Q12772 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
AR P10275 3/20 0.41

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
SCHEMBL1206446 0.83 ALDH1A1 (0.61) ALDH1A1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL5190739 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTL3MBTL1GAA
SCHEMBL28355310 0.77 KDM4E (0.64) CDK5CDK5R1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL17014792 0.76 CYP19A1 (0.70) ALDH1A1RAB9AKDM4ENPC1TDP1
SCHEMBL9748435 0.76 ALDH1A1 (0.59) ALDH1A1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL1206993 0.76 RAB9A (0.66) CDK5CDK5R1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11146948 0.71 RAB9A (0.55) CDK5CDK5R1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10207991 0.71 GAA (0.51) ALDH1A1RAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL829862 0.71 PDE10A (0.53) ALDH1A1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL6651298 0.69 CYP19A1 (0.47) CDK5CDK5R1ALDH1A1RAB9ASMN1; 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 EIF4E 4881/4885CDK5 1503/4885CDK5R1 825/4885

“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.