SCHEMBL6685364

SCHEMBL6685364

O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)C(Cc1ccccc1)[S+]([O-])N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
IMPDH2 P12268 1/20 0.44
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HPGD P15428 3/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL6683279 0.92 NPC1 (0.49) ALDH1A1MEN1GAAKMT2ARAB9A
SCHEMBL6680629 0.87 KMT2A (0.40) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL6835302 0.86 MAPT (0.46) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL6834729 0.86 TP53 (0.44) MEN1KMT2ARAB9ALMNAPOLB
SCHEMBL6831840 0.84 TP53 (0.42) RAB9ALMNAPOLBMAPTCA2
SCHEMBL6831721 0.84 MAPT (0.47) ALDH1A1MEN1GAAKMT2ARAB9A
SCHEMBL6835340 0.83 CNR1 (0.41) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL6835304 0.82 ALDH1A1 (0.46) ALDH1A1GAAKMT2ARAB9ALMNA
SCHEMBL6837120 0.82 TP53 (0.47) ALDH1A1GAARAB9ALMNAPOLB
SCHEMBL6835367 0.82 EPHX2 (0.44) HDAC8HDAC6LMNAMAPT

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 1202/4885MEN1 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.