SCHEMBL12545697

SCHEMBL12545697

NC(=O)CCn1cncc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.54
CYP11B2 P19099 6/20 0.54
IDO1 P14902 4/20 0.54
LMNA P02545 2/20 0.44
HPGDS O60760 2/20 0.43
APP P05067 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 1/20 0.39
LDLR P01130 1/20 0.38
PCSK9 Q8NBP7 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL1948189 0.93 CYP11B1 (0.53) CYP11B1CYP11B2IDO1LMNAHPGDS
SCHEMBL12545573 0.86 CYP11B1 (0.55) CYP11B1CYP11B2IDO1HPGDSAPP
SCHEMBL1950890 0.84 CYP11B1 (0.57) CYP11B1CYP11B2IDO1LMNAHPGDS
SCHEMBL1502108 0.82 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSLDLR
SCHEMBL1951126 0.81 CYP11B1 (0.50) CYP11B1CYP11B2IDO1LMNAHPGDS
SCHEMBL1501907 0.79 ALDH1A1 (0.54) CYP11B1CYP11B2IDO1TBXAS1
SCHEMBL1951361 0.79 CYP11B1 (0.62) CYP11B1CYP11B2IDO1HPGDSLDLR
SCHEMBL5324373 0.78 CYP11B1 (0.60) CYP11B1CYP11B2IDO1LMNAHPGDS
SCHEMBL1947042 0.76 CYP11B1 (0.58) CYP11B1CYP11B2IDO1HPGDSLDLR
SCHEMBL1948648 0.76 CYP11B1 (0.48) CYP11B1CYP11B2IDO1LMNAHPGDS

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 11 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-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US disclosed
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-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-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 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
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US 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.