SCHEMBL6721322

SCHEMBL6721322

[c]1ccc(-c2cnns2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
RUNX1 Q01196 2/20 0.41
CBFB Q13951 2/20 0.41
GFER P55789 1/20 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
SCHEMBL2204601 0.77 ALDH1A1 (0.44) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9133922 0.74 MAPT (0.60) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL224905 0.74 APP (0.48) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6740524 0.74 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6740529 0.74 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL1145924 0.71 HRH3 (0.50) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL3190275 0.70
SCHEMBL10577638 0.69 KIF11 (0.44) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL6742050 0.69 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL12158655 0.69 ALDH1A1 (0.38) ALDH1A1GAAMAPTHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014690-A1 Macrolides with activity against methicillin-resistant staphylococcus aureus ABBOTT LABORATORIES 2004-01-22 US disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
US-20030162729-A1 Macrolides with activity against methicillin-resistant staphylococcus aureus ABBOTT LABORATORIES 2003-08-28 US disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 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 (2 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-20040014690-A1 Macrolides with activity against methicillin-resistant staphylococcus aureus HDAC1, HDAC11, STS ALDH1A1 1160/4885GAA 510/4885MAPT 4721/4885
US-20030162729-A1 Macrolides with activity against methicillin-resistant staphylococcus aureus HDAC1, HDAC11, STS ALDH1A1 1160/4885GAA 510/4885MAPT 4721/4885

“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.