SCHEMBL1389308

SCHEMBL1389308

O=C(O)NOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MYOC Q99972 1/20 0.51
SRD5A2 P31213 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PKM P14618 1/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CES1 P23141 3/20 0.49
CA9 Q16790 2/20 0.49
CES2 O00748 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL2521071 0.85 TSHR (0.53) KMT2AMEN1NPC1MAPTMAPK1
SCHEMBL27894878 0.84 MAPT (0.55) KMT2AMEN1NPC1MAPTMAPK1
SCHEMBL11203010 0.82 NPC1 (0.60) KMT2AMEN1NPC1MAPTRAB9A
SCHEMBL11530611 0.80 MAPT (0.51) KMT2AMEN1MAPTMAPK1RAB9A
SCHEMBL15878977 0.79 KMT2A (0.58) KMT2AMEN1MAPTRAB9APKM
SCHEMBL21132495 0.78 HSPB1 (0.53) KMT2AMEN1NPC1MAPTMAPK1
SCHEMBL10014142 0.77 MAPT (0.46) KMT2AMEN1NPC1MAPTMAPK1
SCHEMBL3703542 0.77 BCL9 (0.61) KMT2AMEN1NPC1MAPTMAPK1
SCHEMBL15058988 0.76 TDP1 (0.58) KMT2AMEN1NPC1MAPK1RAB9A
SCHEMBL6893926 0.75 GAA (0.54) KMT2AMEN1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154997-B9 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2021-04-14 EP disclosed
EP-3154997-B1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2020-02-19 EP disclosed
US-10280139-B2 Cytotoxic peptides and conjugates thereof NOVARTIS AG (CH) 2019-05-07 US disclosed
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2018-06-07 US disclosed
US-9884817-B2 Auristatin derivatives and conjugates thereof NOVARTIS AG (CH) 2018-02-06 US disclosed
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2017-05-04 US disclosed
EP-3154997-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF Novartis AG (CH) 2017-04-19 EP disclosed
CN-106573956-A Auristatin derivatives and conjugates thereof 诺华股份有限公司 2017-04-19 CN disclosed
US-9448173-B2 Dye-conjugated dendrimers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-20 US disclosed
WO-2015189791-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF NOVARTIS AG (CH) 2015-12-17 WO disclosed
US-20140018318-A1 N1- and N2-CARBAMOYL-1,2,3-TRIAZOLE SERINE HYDROLASE INHIBITORS AND METHODS THE SCIPPS RESEARCH INSTITUTE (US) 2014-01-16 US disclosed
US-20120256102-A1 Dye-conjugated dendrimers THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-10-11 US disclosed
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2012-09-06 US disclosed
US-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES MCDERMOTT WILL & EMERY LLP (DC) 2012-01-12 US disclosed
CN-102186822-A Novel urea and thiourea derivatives TOPOTARGET AS (DK) 2011-09-14 CN disclosed
EP-2342181-A1 NOVEL UREA AND THIOUREA DERIVATIVES Topo Target A/S (DK) 2011-07-13 EP disclosed
US-20110112131-A1 Opioid-Ketamine and Norketamine Codrug Combinations for Pain Management University of Kentucky Research Foundation A144 ASTeCC Building (US) 2011-05-12 US disclosed
EP-2318369-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE TopoTarget A/S (DK) 2011-05-11 EP disclosed
WO-2010023307-A1 NOVEL UREA AND THIOUREA DERIVATIVES TOPOTARGET A/S (DK) 2010-03-04 WO disclosed
WO-2009156421-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE TOPOTARGET A/S (DK) 2009-12-30 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 (7 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-20140018318-A1 N1- and N2-CARBAMOYL-1,2,3-TRIAZOLE SERINE HYDROLASE INHIBITORS AND METHODS PRSS1, PRSS3, CES1 KMT2A 2243/4885MEN1 718/4885NPC1 748/4885
US-20110112131-A1 Opioid-Ketamine and Norketamine Codrug Combinations for Pain Management OPRK1, OPRM1, OPRL1 KMT2A 370/4885MEN1 4847/4885NPC1 3218/4885
US-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT KMT2A 3380/4885MEN1 1936/4885NPC1 1720/4885
US-20170121282-A1 AURISTATIN DERIVATIVES AND CONJUGATES THEREOF AURKC, AURKA, AURKB KMT2A 3167/4885MEN1 986/4885NPC1 1895/4885
US-20180155281-A1 CYTOTOXIC PEPTIDES AND CONJUGATES THEREOF CD47, MKI67, NGLY1 KMT2A 4406/4885MEN1 687/4885NPC1 700/4885
US-20120225847-A1 SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE SUCNR1, NAMPT, NAPRT KMT2A 3578/4885MEN1 1915/4885NPC1 1042/4885
US-10280139-B2 Cytotoxic peptides and conjugates thereof CD47, MKI67, NGLY1 KMT2A 4406/4885MEN1 687/4885NPC1 700/4885

“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.