SCHEMBL1502376

SCHEMBL1502376

CC(C)Cn1cncc1-c1cccc(Oc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.46
CYP11B2 P19099 8/20 0.46
IDO1 P14902 3/20 0.44
HPGDS O60760 1/20 0.39
ICMT O60725 1/20 0.39
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
PTGS1 P23219 1/20 0.37
TRPV6 Q9H1D0 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL13531373 0.90 NPC1 (0.44) CYP11B1CYP11B2IDO1HPGDSKDM4E
SCHEMBL15435450 0.88 CYP11B1 (0.52) CYP11B1CYP11B2IDO1HPGDSICMT
SCHEMBL1502220 0.85 CYP11B1 (0.47) CYP11B1CYP11B2IDO1HPGDSSLC16A3
SCHEMBL1948994 0.84 CYP11B1 (0.60) CYP11B1CYP11B2IDO1HPGDSALDH1A1
SCHEMBL1501829 0.81 CYP11B1 (0.38) CYP11B1CYP11B2IDO1HPGDSICMT
SCHEMBL1949967 0.81 KDM5B (0.42) CYP11B1CYP11B2IDO1KDM5BKDM4E
SCHEMBL1501932 0.80 IDO1 (0.50) CYP11B1CYP11B2IDO1HSP90AA1HSP90AB1
SCHEMBL10988081 0.73 CYP11B1 (0.58) CYP11B1CYP11B2IDO1KDM4EALDH1A1
SCHEMBL20485754 0.73 FYN (0.46) CYP11B1CYP11B2KDM4EALDH1A1HSP90AA1
SCHEMBL1502360 0.73 ALOX15 (0.41) KDM4EALDH1A1

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.