SCHEMBL1948819

SCHEMBL1948819

CC(=O)Nc1cccc(CCO)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.58
NPSR1 Q6W5P4 1/20 0.56
ALDH1A1 P00352 3/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP1A2 P05177 1/20 0.56
RAB9A P51151 3/20 0.56
POLB P06746 1/20 0.56
NR4A1 P22736 1/20 0.56
NPC1 O15118 1/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
KMT2A Q03164 1/20 0.54
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
TRPV1 Q8NER1 1/20 0.52
SIRT1 Q96EB6 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50
NAPRT Q6XQN6 1/20 0.50

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
SCHEMBL8419389 0.90 AOC3 (0.56) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL3992218 0.90 KMT2A (0.57) AOC3NPSR1ALDH1A1RAB9APOLB
SCHEMBL1696515 0.86 AOC3 (0.62) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL1548607 0.86 ALDH1A1 (0.59) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL4362393 0.85 AOC3 (0.60) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL8421120 0.85 AOC3 (0.57) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL10781529 0.85 AOC3 (0.57) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL15103037 0.85 AOC3 (0.57) AOC3NPSR1ALDH1A1HSD17B10CYP1A2
SCHEMBL4337810 0.84 TRPV1 (0.53) ALDH1A1RAB9APOLBNPC1CYP4F2
SCHEMBL5074115 0.83 RAB9A (0.57) AOC3NPSR1ALDH1A1HSD17B10CYP1A2

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-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
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 AOC3 2247/4885NPSR1 1314/4885ALDH1A1 983/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT AOC3 2247/4885NPSR1 1314/4885ALDH1A1 983/4885

“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.