SCHEMBL1502279

SCHEMBL1502279

CC(C)(C)OC(=O)Nc1ccccc1-c1cnc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.45
RXFP1 Q9HBX9 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
BRD9 Q9H8M2 1/20 0.41
NAMPT P43490 1/20 0.40
METAP1 P53582 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL1948963 0.79 IDO1 (0.53) IDO1
SCHEMBL2880191 0.76 LMNA (0.54) RXFP1BRD9NAMPTMETAP1LMNA
SCHEMBL28444082 0.76 CHRM3 (0.52) BRD9LMNA
SCHEMBL6365954 0.75 ALDH1A1 (0.45) IDO1RXFP1TRPV1BRD9NAMPT
SCHEMBL1950652 0.75 BRD9 (0.42) IDO1RXFP1TRPV1BRD9METAP1
SCHEMBL29773351 0.75 TRPV1 (0.43) IDO1RXFP1TRPV1BRD9METAP1
SCHEMBL4414634 0.75 LMNA (0.48) IDO1RXFP1TRPV1BRD9METAP1
SCHEMBL22356644 0.74 RXFP1 (0.43) IDO1RXFP1TRPV1BRD9METAP1
SCHEMBL9109986 0.74 CYP17A1 (0.41) NAMPT
SCHEMBL2940952 0.74 GAA (0.51) RXFP1BRD9METAP1LMNAPOLB

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-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-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
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
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 1/4885RXFP1 716/4885TRPV1 3027/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885RXFP1 716/4885TRPV1 3027/4885

“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.