SCHEMBL1948762

SCHEMBL1948762

OCCn1cncc1-c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 11/20 0.69
TDO2 P48775 2/20 0.42
HSP90AA1 P07900 2/20 0.42
HSP90AB1 P08238 2/20 0.42
P2RX7 Q99572 1/20 0.41
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
BCL2L1 Q07817 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1501923 0.82 IDO1 (0.67) IDO1HSP90AA1HSP90AB1P2RX7CYP11B1
SCHEMBL1948414 0.82 IDO1 (1.00) IDO1HSP90AA1HSP90AB1P2RX7CYP11B1
SCHEMBL27811006 0.82 IDO1 (0.63) IDO1HSP90AA1HSP90AB1P2RX7CYP11B1
SCHEMBL12604436 0.79 P2RX7 (0.65) IDO1HSP90AA1HSP90AB1P2RX7CYP11B1
SCHEMBL1948377 0.79 IDO1 (0.49) IDO1TDO2HSP90AA1HSP90AB1P2RX7
SCHEMBL1951361 0.78 CYP11B1 (0.62) IDO1TDO2CYP11B1CYP11B2
SCHEMBL31326499 0.76 IDO1 (1.00) IDO1HSP90AA1HSP90AB1HTR7HTR6
SCHEMBL27831368 0.73 IDO1 (0.47) IDO1TDO2CYP11B1CYP11B2ALDH1A1
SCHEMBL31177866 0.72 HTR7 (0.52) IDO1TDO2HSP90AA1HSP90AB1HTR7
SCHEMBL1501988 0.69 IDO1 (0.63) IDO1TDO2HSP90AA1HSP90AB1ALDH1A1

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 13 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-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
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
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
CN-102083429-A Ido inhibitors NEWLINK GENETICS 2011-06-01 CN 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 IDO1 1/4885TDO2 4/4885HSP90AA1 3280/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TDO2 4/4885HSP90AA1 3280/4885

“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.