SCHEMBL535425

SCHEMBL535425

NOCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.66
CYP19A1 P11511 1/20 0.48
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
VCAM1 P19320 1/20 0.41

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
Hydrochloric Acid SCHEMBL5528680 0.98 IDO1 (0.67) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
SCHEMBL402251 0.81 IDO1 (0.62) IDO1CYP3A4TSHRLMNAALDH1A1
SCHEMBL11273785 0.81 CYP19A1 (0.50) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5529280 0.80 IDO1 (0.64) IDO1CYP3A4TSHRLMNAALDH1A1
SCHEMBL9808020 0.79 CYP19A1 (0.48) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
SCHEMBL439093 0.79 IDO1 (1.00) IDO1POLBTSHRLOXL2ALDH1A1
Dinitrophenylene SCHEMBL28061358 0.78 IDO1 (0.64) IDO1SMN1; SMN2TSHRLMNAALDH1A1
Hydrochloric Acid SCHEMBL659130 0.78 IDO1 (1.00) IDO1CYP3A4TSHRLOXL2
SCHEMBL7005132 0.76 CYP19A1 (0.45) IDO1CYP19A1CYP3A4SMN1; SMN2POLB
SCHEMBL7005138 0.76 CYP19A1 (0.45) IDO1CYP19A1CYP3A4SMN1; SMN2POLB

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 17 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
EP-3097925-B1 PHARMACEUTICAL COMPOSITION AC IMMUNE SA (CH) 2019-06-12 EP disclosed
EP-3097925-A1 PHARMACEUTICAL COMPOSITION AC Immune S.A. (CH) 2016-11-30 EP disclosed
EP-2413957-B1 PHARMACEUTICAL COMPOSITION AC IMMUNE SA (CH) 2016-07-27 EP disclosed
CN-102946899-B Pharmaceutical composition AC IMMUNE S.A. (CH) 2016-01-20 CN disclosed
US-20150259406-A1 Pharmaceutical Composition of an Antigenic Tau Peptide Reconstituted in a Liposome and Related Antibodies and Cell Lines AC IMMUNE SA (CH) 2015-09-17 US disclosed
US-20140255412-A1 Pharmaceutical Composition of an Antigenic Tau Peptide Reconstituted in a Liposome and Related Antibodies and Cell Lines UNIV LEUVEN KATH (BE) 2014-09-11 US disclosed
US-8647631-B2 Pharmaceutical composition of an antigenic tau peptide reconstituted in a liposome and related antibodies and cell lines KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-02-11 US disclosed
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-20120183599-A1 Pharmaceutical Composition AC IMMUNE S.A. (CH) 2012-07-19 US disclosed
EP-2413957-A2 PHARMACEUTICAL COMPOSITION AC Immune S.A. (CH) 2012-02-08 EP disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
WO-2010115843-A2 PHARMACEUTICAL COMPOSITION AC IMMUNE S.A. (CH) 2010-10-14 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 (5 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 IDO1 1/4885CYP19A1 580/4885CYP3A4 413/4885
US-20150259406-A1 Pharmaceutical Composition of an Antigenic Tau Peptide Reconstituted in a Liposome and Related Antibodies and Cell Lines PSEN1, MAPT, PHOSPHO1 IDO1 4246/4885CYP19A1 4572/4885CYP3A4 4859/4885
US-20140255412-A1 Pharmaceutical Composition of an Antigenic Tau Peptide Reconstituted in a Liposome and Related Antibodies and Cell Lines PSEN1, MAPT, PHOSPHO1 IDO1 4246/4885CYP19A1 4572/4885CYP3A4 4859/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885CYP19A1 549/4885CYP3A4 499/4885
US-20120183599-A1 Pharmaceutical Composition MAPT, PSEN1, PSEN2 IDO1 3047/4885CYP19A1 4103/4885CYP3A4 4667/4885

“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.