SCHEMBL1502297

SCHEMBL1502297

CCCCn1cncc1-c1cccc(OCc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
IDO1 P14902 1/20 0.46
APP P05067 2/20 0.46
BCHE P06276 4/20 0.45
IGF1R P08069 1/20 0.44
MAOB P27338 2/20 0.44
HPGDS O60760 1/20 0.43
QPCT Q16769 1/20 0.42
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL1501897 0.93 CYP11B1 (0.48) CYP11B1CYP11B2IDO1APPBCHE
SCHEMBL1501849 0.88 CYP11B1 (0.50) CYP11B1CYP11B2IDO1APPBCHE
SCHEMBL1502215 0.83 HPGDS (0.54) IDO1BCHEMAOBHPGDSALDH1A1
SCHEMBL1502220 0.82 CYP11B1 (0.47) CYP11B1CYP11B2IDO1APPBCHE
SCHEMBL1502227 0.82 CYP11B1 (0.47) CYP11B1CYP11B2IDO1APPBCHE
SCHEMBL593796 0.81 CYP11B1 (0.58) CYP11B1CYP11B2IDO1HPGDSALDH1A1
SCHEMBL1502180 0.79 IDO1 (0.49) CYP11B1CYP11B2IDO1
SCHEMBL29365776 0.78 MAOB (0.48) BCHEMAOBALDH1A1HPGDXBP1
SCHEMBL27753625 0.74 MAOB (0.44) BCHEIGF1RMAOBALDH1A1HPGD
SCHEMBL29487799 0.73 ICMT (0.52) IGF1RMAOBALDH1A1HPGDXBP1

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 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.