SCHEMBL1901426

SCHEMBL1901426

CC(C)(CCO)CCOc1ccccc1-c1c[nH]cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.46
LMNA P02545 3/20 0.36
PDE5A O76074 3/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
HTR7 P34969 1/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12544260 0.87 CYP4F2 (0.44) IDO1LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1948572 0.86 CYP4F2 (0.43) IDO1LMNAALDH1A1SMN1; SMN2
SCHEMBL1951357 0.85 IDO1 (0.58) IDO1LMNAPDE5AHTR7
SCHEMBL12544143 0.85 IDO1 (0.69) IDO1
SCHEMBL1950435 0.85 IDO1 (0.42) IDO1LMNAALDH1A1KDM4E
SCHEMBL1950475 0.85 IDO1 (0.42) IDO1LMNAKMT2AMEN1ALDH1A1
SCHEMBL1949867 0.83 MTNR1A (0.43) IDO1ALDH1A1KDM4E
SCHEMBL1948924 0.81 DRD4 (0.42) IDO1HTTKMT2AMEN1ALDH1A1
SCHEMBL1949401 0.81 KDM4E (0.46) IDO1POLBKDM4ESMN1; SMN2
SCHEMBL1948580 0.78 IDO1 (0.42) IDO1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174942-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2015-11-03 US claimed
US-20140323740-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-10-30 US claimed
US-20110136796-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-06-09 US claimed
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-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-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
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

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 1/4885LMNA 4867/4885PDE5A 1567/4885
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885LMNA 4879/4885PDE5A 1141/4885
US-20110136796-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885LMNA 4867/4885PDE5A 1567/4885

“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.