SCHEMBL1521032

SCHEMBL1521032

NOCc1c[nH]c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
CYP3A4 P08684 3/20 0.62
MAPT P10636 3/20 0.62
AHR P35869 1/20 0.62
GPR84 Q9NQS5 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HTR2A P28223 5/20 0.59
HTR6 P50406 3/20 0.59
CYP2D6 P10635 3/20 0.59
HTR2C P28335 3/20 0.59
HTR1D P28221 2/20 0.59
HTR1B P28222 2/20 0.59
HTR7 P34969 2/20 0.59
MPO P05164 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2A6 P11509 1/20 0.59
NFKB1 P19838 1/20 0.59
CTSK P43235 1/20 0.59
CYP2A13 Q16696 1/20 0.59

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
SCHEMBL31121215 1.00 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
Hydrochloric Acid SCHEMBL1520691 0.98 PMP22 (0.61) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL887095 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL13915153 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL28392291 0.81 MEN1 (0.62) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL1856636 0.78 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL16812539 0.78 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL3163672 0.78 MEN1 (0.58) MEN1KMT2ACYP3A4MAPTAHR
SCHEMBL701395 0.78 HTR2A (0.71) MEN1KMT2ACYP3A4MAPTAHR
Arundine SCHEMBL325162 0.77 MEN1 (1.00) MEN1KMT2ACYP3A4MAPTAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP claimed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US claimed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP claimed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO claimed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
EP-2227233-B1 IDO INHIBITORS NEWLINK GENETICS (US) 2013-02-13 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 WO disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT MEN1 2052/4885KMT2A 597/4885CYP3A4 413/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 MEN1 3694/4885KMT2A 2079/4885CYP3A4 108/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT MEN1 2267/4885KMT2A 660/4885CYP3A4 499/4885

“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.