SCHEMBL1502180

SCHEMBL1502180

CCCCn1cncc1-c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.49
TDO2 P48775 1/20 0.49
ICMT O60725 1/20 0.43
FYN P06241 5/20 0.42
EPHB4 P54760 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
CYP17A1 P05093 3/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
DRD3 P35462 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
MKNK1 Q9BUB5 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
SCHEMBL1501997 0.92 IDO1 (0.51) IDO1TDO2FYNCYP11B1CYP11B2
SCHEMBL1501838 0.85 IDO1 (0.53) IDO1TDO2FYNCYP11B1CYP11B2
SCHEMBL10983627 0.82 IDO1 (0.44) IDO1EPHB4CYP11B1CYP11B2
SCHEMBL593796 0.82 CYP11B1 (0.58) IDO1CYP11B1CYP11B2
SCHEMBL1501880 0.79 IDO1 (0.53) IDO1TDO2FYNCYP11B1CYP11B2
SCHEMBL1501932 0.79 IDO1 (0.50) IDO1TDO2FYNCYP11B1CYP11B2
SCHEMBL1502297 0.79 CYP11B1 (0.46) IDO1CYP11B1CYP11B2
SCHEMBL27490347 0.78 TLR8 (0.51) IDO1ICMTCYP11B1CYP11B2
SCHEMBL1501843 0.77 IDO1 (0.66) IDO1TDO2FYNCYP17A1HSD17B1
SCHEMBL27984310 0.75 CYP11B1 (0.51) IDO1ICMTCYP11B1CYP11B2HTR1A

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 IDO1 1/4885TDO2 4/4885ICMT 737/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TDO2 4/4885ICMT 737/4885

“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.