SCHEMBL9815410

SCHEMBL9815410

CC(=O)Nc1cccc(CCOC(C)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
AOC3 Q16853 1/20 0.53
MGLL Q99685 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9815416 0.84 RAB9A (0.63) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL6693126 0.83 KMT2A (0.50) RAB9AALDH1A1POLBNPC1CYP1A2
SCHEMBL5535286 0.82 AOC3 (0.51) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL5535288 0.82 AOC3 (0.51) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL1948819 0.81 AOC3 (0.58) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL1696515 0.81 AOC3 (0.62) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL7685154 0.81 AOC3 (0.51) AOC3NPSR1ALDH1A1CYP1A2HSD17B10
SCHEMBL8421120 0.80 AOC3 (0.57) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL10781529 0.80 AOC3 (0.57) RAB9AAOC3NPSR1ALDH1A1POLB
SCHEMBL15103037 0.80 AOC3 (0.57) RAB9AAOC3NPSR1ALDH1A1POLB

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 10 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-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
WO-2009132238-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-10-29 WO disclosed
EP-0297607-B1 GAMMA-L-GLUTAMYL-4-NITROANILIDE DERIVATIVES AND PROCESS FOR DETERMINING GAMMA-GTP ACTIVITY USING THE SAME WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-28 EP disclosed
US-4851572-A DIAGNOSIS OF LIVER AND BILE DUCT DISORDERS, ALCOHOLISM WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-25 US disclosed
EP-0297607-A1 Gamma-L-glutamyl-4-nitroanilide derivatives and process for determining gamma-GTP activity using the same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-04 EP 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 (1 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-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT RAB9A 3530/4885AOC3 2247/4885MGLL 1756/4885

“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.