SCHEMBL6099557

SCHEMBL6099557

CN(C)c1cccc2c(S(=O)(=O)n3cc(C4=CC(=O)NC4=O)c4cc(Br)ccc43)cccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
EDNRA P25101 8/20 0.41
HTR6 P50406 5/20 0.38
CA2 P00918 1/20 0.37
BRD4 O60885 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
HIF1A Q16665 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34

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
SCHEMBL6111662 0.85 HTR6 (0.45) HTR6
SCHEMBL6099560 0.84 HTR6 (0.38) HTR6
SCHEMBL6805163 0.76 HTR6 (0.45) HTR6CA2L3MBTL1
SCHEMBL6110763 0.74 HTR6 (0.46) KMT2AHTR6HTTL3MBTL1
SCHEMBL6099522 0.70 GSK3B (0.34) CYP1A2
SCHEMBL6100350 0.68 CREBBP (0.38) KMT2ACYP1A2HTT
SCHEMBL6097509 0.68 GAA (0.46) KMT2AHTR6CA2
SCHEMBL29842850 0.67 CA2 (0.52) KMT2AATMEDNRACA2BRD4
SCHEMBL6098330 0.66 L3MBTL1 (0.62) HTR6CA2L3MBTL1
SCHEMBL31202643 0.65 LMNA (0.60) KMT2AATMEDNRAHTR6CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129250-B2 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2006-10-31 US disclosed
US-20040220202-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-11-04 US disclosed
US-20040102467-A1 Neuroprotective and anti-proliferative compounds AEGERA THERAPEUTICS INC. (CA) 2004-05-27 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 (2 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-20040220202-A1 Neuroprotective and anti-proliferative compounds NLN, MKI67, BDNF KMT2A 3903/4885ATM 3226/4885EDNRA 770/4885
US-20040102467-A1 Neuroprotective and anti-proliferative compounds MKI67, NLN, BDNF KMT2A 3945/4885ATM 3211/4885EDNRA 717/4885

“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.