SCHEMBL6411022

SCHEMBL6411022

O=C(O)c1c(-c2ccccc2)sc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.51
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ABCC1 P33527 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL14709200 0.89 L3MBTL1 (0.51) L3MBTL1TDP1CNR1CNR2ATM
SCHEMBL29765300 0.83 ESR1 (0.46) L3MBTL1TDP1CNR1CNR2ATM
SCHEMBL28418584 0.83 ESR1 (0.46) L3MBTL1TDP1CNR1CNR2ATM
SCHEMBL9384765 0.82 L3MBTL1 (0.48) L3MBTL1TDP1CNR1CNR2ATM
SCHEMBL11552702 0.80 CNR1 (0.64) TDP1CNR1CNR2LMNAESR1
SCHEMBL31276918 0.80 KMT2A (0.50) ATMNPC1LMNAMAPK1MEN1
SCHEMBL11547449 0.77 CNR1 (0.64) L3MBTL1TDP1CNR1CNR2ATM
SCHEMBL941112 0.77 MCL1 (0.65) ATMLMNAMAPK1MCL1PRNP
SCHEMBL21780868 0.77 TDP1 (0.53) L3MBTL1TDP1CNR1CNR2ATM
SCHEMBL7078639 0.77 TUBB4A (0.60) L3MBTL1TDP1CNR1CNR2ATM

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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use AVENTIS PHARMA (FR) 2005-01-27 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-20050020593-A1 Aryl-heteroaromatic compounds, compositions comprising them and use TUBB3, TUBB, TUBB1 L3MBTL1 2131/4885TDP1 1031/4885CNR1 3972/4885

“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.