SCHEMBL1950986

SCHEMBL1950986

CNC(=O)Cc1cccc(COc2ccccc2-c2c[nH]cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.48
CYP4A11 Q02928 4/20 0.48
PTGER1 P34995 5/20 0.39
PTGER4 P35408 3/20 0.39
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1951541 0.90 BRD4 (0.41) CYP4F2CYP4A11PTGER1PTGER4PTGER3
SCHEMBL13516904 0.83 MGMT (0.48) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL1950676 0.79 SGMS2 (0.50) BRD4IDO1
SCHEMBL1908407 0.79 BRD4 (0.40) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL1948178 0.77 BRD4 (0.56) PTGER1BRD4IDO1KMT2A
SCHEMBL1951712 0.77 SGMS2 (0.50) PTGER1BRD4TP53MDM2KMT2A
SCHEMBL1948483 0.75 IDO1 (0.42) CYP4F2CYP4A11BRD4IDO1MRGPRX4
SCHEMBL1947684 0.75 SGMS2 (0.43) PTGER1BRD4IDO1KMT2A
SCHEMBL12544578 0.74 BRD4 (0.40) PTGER1PTGER4PTGER3PTGER2BRD4
SCHEMBL1950683 0.74 MRGPRX4 (0.48) CYP4F2CYP4A11BRD4MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP4F2 792/4885CYP4A11 1381/4885PTGER1 1451/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CYP4F2 792/4885CYP4A11 1381/4885PTGER1 1451/4885

“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.