SCHEMBL6835304

SCHEMBL6835304

COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)C(Cc2cccc(Cl)c2)[S+]([O-])N3)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
ROCK2 O75116 1/20 0.46
ROCK1 Q13464 1/20 0.46
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 1/20 0.44
MAPK10 P53779 1/20 0.44
DRD2 P14416 1/20 0.44
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP13 P45452 1/20 0.42

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
SCHEMBL6831721 0.92 MAPT (0.47) ALDH1A1MAPK1ROCK2ROCK1KMT2A
SCHEMBL6683279 0.91 NPC1 (0.49) ALDH1A1MAPK1ROCK2ROCK1KMT2A
SCHEMBL6837120 0.90 TP53 (0.47) ALDH1A1MAPK1ROCK2ROCK1RXFP1
SCHEMBL6835283 0.90 LMNA (0.47) ALDH1A1MAPK1ROCK2ROCK1KMT2A
SCHEMBL6835519 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1ROCK2ROCK1KMT2A
SCHEMBL6831840 0.89 TP53 (0.42) MAPK1ROCK2ROCK1MAPTLMNA
SCHEMBL6831844 0.88 ALDH1A1 (0.45) ALDH1A1MAPK1ROCK2ROCK1KMT2A
SCHEMBL6835368 0.88 ALDH1A1 (0.44) ALDH1A1MAPK1ROCK2ROCK1KMT2A
SCHEMBL6837107 0.83 RXFP1 (0.48) ALDH1A1MAPK1ROCK2ROCK1RXFP1
SCHEMBL6668041 0.82 MAPT (0.51) ALDH1A1MAPK1ROCK2ROCK1RXFP1

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 1 patent. 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

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 857/4885ROCK2 38/4885

“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.