SCHEMBL6665728

SCHEMBL6665728

COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)C(Cc2ccc(Cl)c(F)c2)C(=O)N3C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
DRD2 P14416 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
GFER P55789 1/20 0.43
KLKB1 P03952 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP13 P45452 1/20 0.42
DRD3 P35462 2/20 0.41
THRB P10828 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
SCHEMBL6682647 0.93 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2SMN1; SMN2MAPT
SCHEMBL6682842 0.92 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2MAPTPOLB
SCHEMBL6670427 0.92 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2SMN1; SMN2MAPT
SCHEMBL6680610 0.91 DRD2 (0.45) ALDH1A1MAPK1DRD2SMN1; SMN2MAPT
SCHEMBL6664679 0.89 SMN1; SMN2 (0.51) ALDH1A1MAPK1DRD2SMN1; SMN2MAPT
SCHEMBL6686372 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2SMN1; SMN2MAPT
SCHEMBL6664648 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2MAPTPOLB
SCHEMBL6678354 0.86 DRD2 (0.54) ALDH1A1MAPK1DRD2MAPTPOLB
SCHEMBL6664863 0.85 DRD2 (0.46) ALDH1A1MAPK1DRD2MAPTPOLB
SCHEMBL6668774 0.84 DRD2 (0.45) ALDH1A1MAPK1DRD2SMN1; SMN2MAPT

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 2 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 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 ALDH1A1 1202/4885MAPK1 857/4885DRD2 1883/4885

“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.