SCHEMBL3430677

SCHEMBL3430677

Nc1cccc2c1C([O])c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2C9 P11712 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
GRM2 Q14416 3/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP2 O75604 1/20 0.36
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL1461768 0.80 MAOA (0.44) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL1979794 0.79 MAOA (0.62) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL3236129 0.78 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL11781441 0.77 CYP2C9 (0.44) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL8655488 0.76 MAOA (0.40) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL5544515 0.69 MAOA (0.46) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL22851772 0.66 AHR (0.42) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL29413779 0.65 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL88261 0.65 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL19458502 0.64 MAOA (0.64) ATMMAOAMAOBCYP2C9HDAC3

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-7759302-B2 Octapeptides: Arg-X-Asp-Leu-Asp-Ser-Leu-Arg where X is a 2-aminoaulfonylaminoalkanoic acid and optionally having various end groups; biologically active as ligands of blood platelet integrin GPIIbIIIa and the alpha v integrins MERCK PATENT GMBH (DE) 2010-07-20 US disclosed
US-20060148716-A1 Peptidic sulfonamides MERCK PATENT GMBH (DE) 2006-07-06 US disclosed
CN-1361792-A Cyclic peptide derivatives as inhibitors of integrin alpha/beta MERCK PATENT GMBH (DE) 2002-07-31 CN 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-20060148716-A1 Peptidic sulfonamides ITGB3, ITGA2B, ITGA2 ATM 2944/4885MAOA 4620/4885MAOB 4494/4885

“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.