SCHEMBL1950652

SCHEMBL1950652

CC(C)(C)OC(=O)Nc1ccccc1-c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
METAP1 P53582 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
TDP2 O95551 1/20 0.41
IDO1 P14902 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
ATR Q13535 1/20 0.38
CNR2 P34972 1/20 0.38
ELANE P08246 1/20 0.37
CTRB1 P17538 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
BRD4 O60885 1/20 0.36
MAPK10 P53779 1/20 0.36
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1906832 0.81 ALDH1A1 (0.50) POLBATR
SCHEMBL6365954 0.77 ALDH1A1 (0.45) BRD9RXFP1METAP1TRPV1TDP2
SCHEMBL4790429 0.77 TSHR (0.52) LMNAMAPK10MEN1MAPTKMT2A
SCHEMBL29773351 0.77 TRPV1 (0.43) BRD9RXFP1METAP1TRPV1TDP2
SCHEMBL1903483 0.76 IDO1 (0.47) IDO1
SCHEMBL28242146 0.76 GSK3B (0.43) METAP1LMNAATR
SCHEMBL1502279 0.75 IDO1 (0.45) BRD9RXFP1METAP1TRPV1IDO1
SCHEMBL2880191 0.75 LMNA (0.54) BRD9RXFP1METAP1LMNAPOLB
SCHEMBL28444082 0.75 CHRM3 (0.52) BRD9LMNAMEN1MAPTKMT2A
SCHEMBL29773359 0.74 TRPV1 (0.46) BRD9RXFP1METAP1TRPV1IDO1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748469-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-06-10 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
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-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 BRD9 1176/4885RXFP1 716/4885METAP1 106/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT BRD9 1176/4885RXFP1 716/4885METAP1 106/4885

“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.