SCHEMBL1502124

SCHEMBL1502124

COc1cccc(COc2cccc(-c3cncn3C(C)C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.48
ACHE P22303 1/20 0.46
GAA P10253 2/20 0.45
ALKBH1 Q13686 1/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
MCTS1 Q9ULC4 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
CDK1 P06493 1/20 0.43
F9 P00740 1/20 0.43
F10 P00742 1/20 0.43

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
SCHEMBL1502400 0.91 CYP11B1 (0.48) MAOBGAASLC16A3SLC16A1MCTS1
SCHEMBL29365776 0.89 MAOB (0.48) MAOBMRGPRX4
SCHEMBL1502348 0.87 BRD9 (0.52) GAATP53THRBBRD9
SCHEMBL1501836 0.87 GRM5 (0.52) MAOBACHE
SCHEMBL1501950 0.83 MAOB (0.51) MAOBACHEMRGPRX4THRBF9
SCHEMBL1502244 0.83 MAOA (0.46) MAOBACHEF9F10
SCHEMBL1501846 0.80 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1
SCHEMBL1949967 0.74 KDM5B (0.42) MAOBBRD9
SCHEMBL1502220 0.74 CYP11B1 (0.47) MAOBSLC16A3SLC16A1MCTS1
SCHEMBL1502215 0.74 HPGDS (0.54) MAOBMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US disclosed
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
EP-2291187-A2 IDO INHIBITORS Newlink Genetics (US) 2011-03-09 EP disclosed
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 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 (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-20140323740-A1 IDO Inhibitors IDO1, IDO2, INMT MAOB 28/4885ACHE 571/4885GAA 2068/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT MAOB 28/4885ACHE 571/4885GAA 2068/4885

“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.