SCHEMBL6681605

SCHEMBL6681605

COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)C(Cc2ccccc2)[S+]([O-])N3C)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TP53 P04637 2/20 0.48
DRD3 P35462 2/20 0.47
POLB P06746 1/20 0.47
CXCR3 P49682 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.45
MMP13 P45452 1/20 0.45

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
SCHEMBL6669286 0.93 ALDH1A1 (0.54) DRD2ALDH1A1MAPK1RAB9AMEN1
SCHEMBL6835489 0.92 SMN1; SMN2 (0.51) DRD2MAPTALDH1A1MAPK1NPC1
SCHEMBL6837107 0.91 RXFP1 (0.48) DRD2MAPTALDH1A1MAPK1NPC1
SCHEMBL6834741 0.91 ALDH1A1 (0.47) DRD2MAPTALDH1A1MAPK1TP53
SCHEMBL6837495 0.89 ALDH1A1 (0.47) DRD2MAPTALDH1A1MAPK1NPC1
SCHEMBL6835647 0.89 ALDH1A1 (0.47) DRD2MAPTALDH1A1MAPK1NPC1
SCHEMBL6831809 0.87 ALDH1A1 (0.45) DRD2MAPTALDH1A1MAPK1NPC1
SCHEMBL6837172 0.87 ALDH1A1 (0.45) DRD2MAPTALDH1A1MAPK1NPC1
SCHEMBL6835596 0.82 DRD2 (0.45) DRD2MAPTALDH1A1TP53DRD3
SCHEMBL6683279 0.81 NPC1 (0.49) DRD2MAPTALDH1A1MAPK1NPC1

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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US claimed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 DRD2 1883/4885MAPT 2365/4885ALDH1A1 1202/4885

“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.