SCHEMBL1950888

SCHEMBL1950888

Clc1ccc(COc2ccc(Br)cc2-c2c[nH]cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.52
SLC6A4 P31645 1/20 0.49
STAT3 P40763 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PTGER1 P34995 1/20 0.44

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
SCHEMBL1948726 0.86 MAOB (0.43) SLC6A4
SCHEMBL1951907 0.82 SLC6A4 (0.45) CCR5SLC6A4STAT3PTGER1
SCHEMBL1948653 0.82 SMN1; SMN2 (0.47) PTGER1
SCHEMBL1948704 0.77 IDO1 (0.54) CCR5SLC6A4STAT3NPSR1PTGER1
SCHEMBL13673987 0.75 MAOB (0.40) SLC6A4PTGER1
SCHEMBL1906514 0.75 KMT2A (0.37) CCR5NPSR1
SCHEMBL13517128 0.74 SLC6A4 (0.39) SLC6A4NPSR1PTGER1
SCHEMBL13321705 0.73 CCR5 (0.68) CCR5SLC6A4STAT3NPSR1
SCHEMBL18920768 0.71 CCR5 (0.64) CCR5SLC6A4STAT3NPSR1
SCHEMBL13516738 0.71 NPC1 (0.50) SLC6A4NPSR1PTGER1

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 CCR5 256/4885SLC6A4 1207/4885STAT3 1657/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT CCR5 256/4885SLC6A4 1207/4885STAT3 1657/4885

“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.