SCHEMBL1908407

SCHEMBL1908407

CC(=O)N(Cc1ccccc1)Cc1cccc(COc2ccccc2-c2c[nH]cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
PTGER1 P34995 7/20 0.39
PTGER4 P35408 5/20 0.39
PTGER3 P43115 5/20 0.39
PTGER2 P43116 5/20 0.39
IDO1 P14902 1/20 0.39
PTGES O14684 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARD Q03181 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MCL1 Q07820 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
SCHEMBL13516904 0.81 MGMT (0.48) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL1950986 0.79 CYP4F2 (0.48) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL1948178 0.78 BRD4 (0.56) BRD4PTGER1IDO1KMT2A
SCHEMBL1950676 0.78 SGMS2 (0.50) BRD4IDO1
SCHEMBL1951712 0.76 SGMS2 (0.50) BRD4PTGER1KMT2ANPSR1
SCHEMBL13564266 0.74 RXRA (0.64) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL1906834 0.74 RXRA (0.62) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL1947684 0.73 SGMS2 (0.43) BRD4PTGER1IDO1KMT2A
SCHEMBL12544578 0.73 BRD4 (0.40) BRD4PTGER1PTGER4PTGER3PTGER2
SCHEMBL1950683 0.73 MRGPRX4 (0.48) BRD4MRGPRX4FFAR1

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
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 EP disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 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 (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-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT BRD4 807/4885PTGER1 2094/4885PTGER4 2380/4885

“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.