SCHEMBL6835283

SCHEMBL6835283

COc1ccc(CNC(=O)c2ccc3c(c2)C(=O)C(Cc2ccc(Cl)c(Cl)c2)[S+]([O-])N3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 1/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
DRD2 P14416 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 2/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
RPA1 P27694 2/20 0.42
SSTR3 P32745 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL6835519 0.93 ALDH1A1 (0.44) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6835368 0.93 ALDH1A1 (0.44) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6831721 0.92 MAPT (0.47) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6835304 0.90 ALDH1A1 (0.46) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6835367 0.89 EPHX2 (0.44) LMNAMAPTEPHX2HSP90AA1HSP90AB1
SCHEMBL6683279 0.89 NPC1 (0.49) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6831844 0.88 ALDH1A1 (0.45) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6837120 0.87 TP53 (0.47) LMNAALDH1A1MAPK1MAPTPOLB
SCHEMBL6834773 0.83 MAPT (0.42) LMNAMAPTPOLBDRD2EPHX2
SCHEMBL6837223 0.83 PPARG (0.43) LMNAMAPTPOLBDRD2EPHX2

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 LMNA 2566/4885ALDH1A1 1202/4885MAPK1 857/4885

“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.