SCHEMBL6846461

SCHEMBL6846461

CC(C)(C)c1c(O)ccc(C(N)=O)c1-c1cccc(OCc2cncc(Br)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 2/20 0.42
MAOB P27338 6/20 0.41
MAOA P21397 5/20 0.41
PARP14 Q460N5 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
SMPD1 P17405 2/20 0.36
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 3/20 0.35
DGAT2 Q96PD7 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 1/20 0.34
CYP11B2 P19099 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
SCHEMBL6846696 0.67 MAOB (0.58) MAOBMAOA
SCHEMBL18340255 0.64 SIRT2 (0.59) SIRT2SIRT1SIRT3
SCHEMBL7449022 0.64 SIRT2 (0.51) PARP15PARP10MAOBSIRT2NR1H2
SCHEMBL18428626 0.63 GRM2 (0.61)
SCHEMBL203978 0.63 MAOB (0.55) PARP10MAOBSIRT2SIRT1SIRT3
SCHEMBL21808795 0.63 MAOB (0.42) PARP15PARP10MAOBPARP14CYP11B2
SCHEMBL24933394 0.62 PARP15 (0.39) PARP15PARP10MAOBPARP14CYP11B2
SCHEMBL30240728 0.62 PARP15 (0.39) PARP15PARP10MAOBPARP14CYP11B2
SCHEMBL18347100 0.62 SIRT2 (0.62) MAOBMAOASIRT2SIRT1SIRT3
SCHEMBL18339411 0.61 MAOB (0.52) MAOBSIRT2SIRT1SIRT3

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA PARP15 1506/4885PARP10 1306/4885MAOB 2116/4885

“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.