SCHEMBL1950430

SCHEMBL1950430

c1ccc(-c2cnc[nH]2)c(OCCn2cccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.73
ADRA1A P35348 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1950424 0.85 IDO1 (1.00) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1902633 0.82 IDO1 (0.63) IDO1ALDH1A1MAPK1
SCHEMBL1502436 0.80 IDO1 (0.70) IDO1ADRA1AADRA1DADRA1BMAPK1
SCHEMBL1948620 0.79 IDO1 (0.71) IDO1ADRA1AADRA1DADRA1BMAPK1
SCHEMBL1905053 0.78 IDO1 (0.62) IDO1ALDH1A1
SCHEMBL1947047 0.78 IDO1 (1.00) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1947113 0.77 IDO1 (0.60) IDO1ALDH1A1MAPK1
SCHEMBL1950300 0.77 IDO1 (0.60) IDO1ALDH1A1MAPK1HSD17B10
SCHEMBL1948711 0.77 IDO1 (1.00) IDO1ADRA1AADRA1DADRA1B
SCHEMBL1908396 0.77 IDO1 (1.00) IDO1ADRA1AADRA1DADRA1B

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 18 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-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US claimed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 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-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-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 (3 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 1/4885ADRA1A 1016/4885ADRA1D 1243/4885
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885ADRA1A 2743/4885ADRA1D 2947/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885ADRA1A 1016/4885ADRA1D 1243/4885

“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.