SCHEMBL6403322

SCHEMBL6403322

O=Cc1ccc(-c2csc(Nc3cccnc3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.74
ALDH1A1 P00352 5/20 0.74
MAPK1 P28482 2/20 0.74
CLK1 P49759 1/20 0.74
MEN1 O00255 9/20 0.72
KMT2A Q03164 9/20 0.72
NPC1 O15118 6/20 0.72
RAB9A P51151 5/20 0.72
LMNA P02545 2/20 0.67
ALOX12 P18054 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
GLA P06280 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HPGD P15428 2/20 0.58
HTT P42858 1/20 0.58
PKM P14618 2/20 0.57
VCP P55072 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL7554938 0.89 MAPT (0.91) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL22560267 0.85 MAPK1 (1.00) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL22560263 0.84 MAPT (1.00) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL6403318 0.82 MAPT (0.74) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL1473404 0.81 NPC1 (0.80) MAPTALDH1A1MAPK1CLK1MEN1
Trifluoroacetic Acid SCHEMBL7551166 0.81 MAPT (0.73) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL7557437 0.80 MAPK1 (0.84) MAPTALDH1A1MAPK1CLK1MEN1
Bromide SCHEMBL7674933 0.79 MAPK1 (0.82) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL12639823 0.79 MAPK1 (0.86) MAPTALDH1A1MAPK1CLK1MEN1
SCHEMBL26780712 0.78 MAPT (0.68) MAPTALDH1A1MAPK1CLK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US claimed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US claimed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO claimed
US-6900237-B2 Sulfonamide compounds as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-05-31 US disclosed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US disclosed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 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-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 MAPT 2884/4885ALDH1A1 2068/4885MAPK1 3158/4885

“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.