SCHEMBL6664648

SCHEMBL6664648

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
DRD2 P14416 5/20 0.48
KLKB1 P03952 1/20 0.45
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
NAMPT P43490 1/20 0.44
MAPT P10636 3/20 0.44
POLB P06746 2/20 0.44
DRD3 P35462 2/20 0.44
EPHX2 P34913 1/20 0.43
PPARG P37231 1/20 0.43
MMP13 P45452 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL6684556 0.92 DRD2 (0.49) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6678354 0.90 DRD2 (0.54) ALDH1A1MAPK1DRD2MAPTPOLB
SCHEMBL6686372 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6682842 0.90 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2KLKB1ROCK2
SCHEMBL6665728 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2KLKB1MAPT
SCHEMBL6682647 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1DRD2KLKB1MAPT
SCHEMBL6670427 0.86 ALDH1A1 (0.49) ALDH1A1MAPK1DRD2MAPTPOLB
SCHEMBL6664679 0.86 SMN1; SMN2 (0.51) ALDH1A1MAPK1DRD2ROCK2ROCK1
SCHEMBL6685126 0.84 THRB (0.48) ALDH1A1DRD2MAPTPOLBDRD3
SCHEMBL6664526 0.84 PARP10 (0.44) ALDH1A1MAPK1MAPTPOLBRXFP1

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.