SCHEMBL6835596

SCHEMBL6835596

CN1c2ccc(C(=O)NCc3ccc(F)cc3)cc2C(=O)C(Cc2cccc(F)c2)[S+]1[O-]

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.45
LMNA P02545 2/20 0.44
ROCK2 O75116 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 1/20 0.42
PPARG P37231 1/20 0.42
DRD3 P35462 1/20 0.42
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR7 P34969 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 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
SCHEMBL6834741 0.93 ALDH1A1 (0.47) DRD2ROCK2MAPTALDH1A1EPHX2
SCHEMBL6835389 0.92 THRB (0.48) DRD2ROCK2MAPTALDH1A1DRD3
SCHEMBL6831861 0.90 HTR7 (0.47) DRD2LMNAROCK2MAPTGAA
SCHEMBL6834726 0.89 EPHX2 (0.43) DRD2LMNAMAPTGAAEPHX2
SCHEMBL6835231 0.89 MAPT (0.47) DRD2LMNAMAPTGAADRD3
SCHEMBL6831716 0.88 MAPT (0.42) DRD2LMNAMAPTGAAPPARG
SCHEMBL6831784 0.88 PPARG (0.42) DRD2LMNAMAPTGAAEPHX2
SCHEMBL6669286 0.87 ALDH1A1 (0.54) DRD2LMNAGAAALDH1A1RORC
SCHEMBL6831719 0.85 NR4A2 (0.39) MAPTMEN1KMT2AHTR7
SCHEMBL6681605 0.82 DRD2 (0.49) DRD2MAPTALDH1A1DRD3MEN1

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 claimed
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 DRD2 1883/4885LMNA 2566/4885ROCK2 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.