SCHEMBL1502227

SCHEMBL1502227

CC(C)(C)Cn1cncc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
IDO1 P14902 1/20 0.47
MAOB P27338 4/20 0.45
HPGDS O60760 1/20 0.44
BCHE P06276 2/20 0.42
APP P05067 2/20 0.42
MAPK1 P28482 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL1501849 0.86 CYP11B1 (0.50) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1501897 0.84 CYP11B1 (0.48) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1502220 0.83 CYP11B1 (0.47) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1502297 0.82 CYP11B1 (0.46) CYP11B1CYP11B2IDO1MAOBHPGDS
SCHEMBL1502215 0.81 HPGDS (0.54) IDO1MAOBHPGDSBCHEMAPK1
SCHEMBL1502352 0.80 CYP11B1 (0.60) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL29365776 0.79 MAOB (0.48) MAOBBCHEMAPK1MRGPRX4PDE4B
SCHEMBL1501880 0.78 IDO1 (0.53) CYP11B1CYP11B2IDO1
SCHEMBL1501950 0.74 MAOB (0.51) CYP11B1CYP11B2MAOBMRGPRX4
SCHEMBL379281 0.72 MAOB (0.67) MAOBBCHEMRGPRX4

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 CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP11B1 1122/4885CYP11B2 1149/4885IDO1 1/4885

“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.