SCHEMBL1901846

SCHEMBL1901846

Clc1ccc(COc2ccccc2-c2cnc[nH]2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.80
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL1948856 0.89 IDO1 (1.00) IDO1ADRA1DADRA1AADRA1BCYP3A4
SCHEMBL1907186 0.87 IDO1 (0.71) IDO1ADRA1DADRA1AADRA1BPOLB
SCHEMBL1947394 0.86 IDO1 (0.59) IDO1
SCHEMBL1906991 0.86 IDO1 (0.84) IDO1ADRA1DADRA1AADRA1B
SCHEMBL1904983 0.86 IDO1 (0.74) IDO1ADRA1A
SCHEMBL1948704 0.82 IDO1 (0.54) IDO1
SCHEMBL1904102 0.82 IDO1 (0.55) IDO1POLBSMN1; SMN2MEN1NPC1
SCHEMBL1906363 0.82 IDO1 (0.71) IDO1ADRA1DADRA1AADRA1B
SCHEMBL1950613 0.79 IDO1 (0.67) IDO1ADRA1DADRA1AADRA1BMEN1
SCHEMBL1951440 0.78 IDO1 (0.74) IDO1ADRA1DADRA1AADRA1BLMNA

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 22 patents — showing the first 20. 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
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 EP claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO 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-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
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-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO 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 1/4885ADRA1D 1243/4885ADRA1A 1016/4885
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885ADRA1D 2947/4885ADRA1A 2743/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885ADRA1D 1243/4885ADRA1A 1016/4885

“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.