SCHEMBL1502244

SCHEMBL1502244

CC(C)n1cncc1-c1cccc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A2 P43354 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
SMPD1 P17405 1/20 0.42
IDO1 P14902 1/20 0.42
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
CNR2 P34972 2/20 0.41
ACHE P22303 1/20 0.40
IGF1R P08069 1/20 0.40
CNR1 P21554 1/20 0.40
GPR18 Q14330 1/20 0.40

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
SCHEMBL1501836 0.89 GRM5 (0.52) MAOAMAOBNR4A2EGLN1IDO1
SCHEMBL29365776 0.89 MAOB (0.48) MAOBMAPK1KMT2A
SCHEMBL1501950 0.88 MAOB (0.51) MAOAMAOBMEN1KMT2ASMN1; SMN2
SCHEMBL1502400 0.88 CYP11B1 (0.48) MAOBMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1502124 0.83 MAOB (0.48) MAOBF9F10ACHE
SCHEMBL1501846 0.80 SLC16A3 (0.43)
SCHEMBL1502348 0.76 BRD9 (0.52) CYP11B1CYP11B2IDO1SRC
SCHEMBL29466608 0.75 CLK2 (0.37) MAOBIDO1SRC
SCHEMBL1949967 0.74 KDM5B (0.42) MAOAMAOBCYP11B1CYP11B2IDO1
SCHEMBL1502220 0.74 CYP11B1 (0.47) MAOBMAPK1CYP11B1CYP11B2IDO1

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 8 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
CN-102083429-B Ido inhibitors NEWLINK GENETICS 2014-05-28 CN disclosed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US disclosed
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN 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 MAOA 20/4885MAOB 28/4885MEN1 2262/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT MAOA 20/4885MAOB 28/4885MEN1 2262/4885

“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.