SCHEMBL6686372

SCHEMBL6686372

COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)C(Cc2cccc(Cl)c2)C(=O)N3C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
DRD2 P14416 6/20 0.48
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD3 P35462 2/20 0.44
POLB P06746 1/20 0.44
MMP13 P45452 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
SCHEMBL6664679 0.91 SMN1; SMN2 (0.51) ALDH1A1MAPK1DRD2MAPTROCK2
SCHEMBL6678354 0.90 DRD2 (0.54) ALDH1A1MAPK1DRD2KMT2AMAPT
SCHEMBL6664648 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1RXFP1DRD2MAPT
SCHEMBL6685126 0.90 THRB (0.48) ALDH1A1RXFP1DRD2MAPTDRD3
SCHEMBL6670427 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2MAPTSMN1; SMN2
SCHEMBL6682647 0.89 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2KMT2AMAPT
SCHEMBL6682842 0.88 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2KMT2AMAPT
SCHEMBL6665728 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2MAPTSMN1; SMN2
SCHEMBL6837107 0.83 RXFP1 (0.48) ALDH1A1MAPK1RXFP1DRD2KMT2A
SCHEMBL6665657 0.82 ALDH1A1 (0.60) ALDH1A1MAPK1DRD2KMT2AMAPT

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 857/4885RXFP1 173/4885

“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.