SCHEMBL6669286

SCHEMBL6669286

CN1c2ccc(C(=O)NCc3ccccc3)cc2C(=O)C(Cc2ccccc2)[S+]1[O-]

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 2/20 0.46
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RORC P51449 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6681605 0.93 DRD2 (0.49) ALDH1A1MEN1KMT2ADRD2RAB9A
SCHEMBL6835320 0.87 PARK7 (0.46) ALDH1A1MEN1KMT2AHPGDL3MBTL1
SCHEMBL6835596 0.87 DRD2 (0.45) ALDH1A1MEN1GAAKMT2ADRD2
SCHEMBL6835231 0.86 MAPT (0.47) MEN1GAAKMT2ADRD2LMNA
SCHEMBL6835389 0.85 THRB (0.48) ALDH1A1DRD2
SCHEMBL6835489 0.84 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2ADRD2LMNA
SCHEMBL6831861 0.84 HTR7 (0.47) ALDH1A1GAADRD2LMNAMAPK1
SCHEMBL6834741 0.83 ALDH1A1 (0.47) ALDH1A1DRD2MAPK1
SCHEMBL6837107 0.83 RXFP1 (0.48) ALDH1A1KMT2ADRD2RAB9AMAPK1
SCHEMBL6834726 0.82 EPHX2 (0.43) GAADRD2LMNAMAPK1RORC

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 4 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
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
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 1202/4885MEN1 3612/4885GAA 554/4885

“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.