SCHEMBL402251

SCHEMBL402251

NOCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.62
TSHR P16473 3/20 0.61
LMNA P02545 1/20 0.55
MAOB P27338 2/20 0.54
MAOA P21397 1/20 0.54
F2 P00734 1/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
AGXT P21549 5/20 0.51
CYP3A4 P08684 1/20 0.50

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 SCHEMBL5529280 0.98 IDO1 (0.64) IDO1TSHRLMNAMAOBMAOA
Dinitrophenylene SCHEMBL28061358 0.90 IDO1 (0.64) IDO1TSHRLMNAALDH1A1ALOX15
SCHEMBL1767329 0.85 TSHR (0.65) TSHRLMNAMAOBMAOAF2
SCHEMBL791926 0.84 TSHR (0.62) TSHRLMNAMAOBMAOAALDH1A1
SCHEMBL1520674 0.83 TSHR (0.57) IDO1TSHRLMNAMAOBMAOA
SCHEMBL28381738 0.83 TSHR (0.57) TSHRLMNAMAOBMAOAF2
SCHEMBL4798585 0.82 TSHR (0.61) TSHRLMNAMAOBMAOAF2
SCHEMBL20337575 0.82 TSHR (0.61) TSHRLMNAMAOBMAOAF2
SCHEMBL9628070 0.82 TSHR (0.66) TSHRLMNAMAOBMAOAF2
SCHEMBL5717162 0.82 TSHR (0.61) TSHRLMNAMAOBMAOAF2

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 20 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-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2017-03-16 US disclosed
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US disclosed
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 US disclosed
US-8716346-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2014-05-06 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-8324282-B2 Alkylating agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-04 US disclosed
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER GERSON STANTON L (US) 2012-03-15 US disclosed
CN-102065835-A Cosmetic or pharmaceutical compositions comprising modified polysiloxanes with at least one carbamate group CLARIANT INT LTD 2011-05-18 CN disclosed
US-20110053941-A1 IDO Inhibitors NEWLINK GENETICS (US) 2011-03-03 US disclosed
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY 2010-10-21 US disclosed
EP-2227233-A2 IDO INHIBITORS Newlink Genetics (US) 2010-09-15 EP disclosed
WO-2009073620-A2 IDO INHIBITORS NEWLINK GENETICS (US) 2009-06-11 WO disclosed
US-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 US disclosed
CN-1954798-A Use of quaternary polysiloxanes in wash and personal care products CLARIANT PRODUKTE DEUTSCHLAND (DE) 2007-05-02 CN 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 (6 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-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG IDO1 2814/4885TSHR 4289/4885LMNA 2702/4885
US-20110053941-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TSHR 4372/4885LMNA 4872/4885
US-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 IDO1 1499/4885TSHR 2018/4885LMNA 3831/4885
US-20120065145-A1 ALKYLATING AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNG, TOP2A, OGG1 IDO1 4025/4885TSHR 3648/4885LMNA 2082/4885
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG IDO1 2814/4885TSHR 4289/4885LMNA 2702/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885TSHR 4228/4885LMNA 4882/4885

“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.