SCHEMBL2220068

SCHEMBL2220068

COc1cccc(NC(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 3/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 2/20 0.46
RORC P51449 1/20 0.45
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2220075 1.00 MEN1 (0.52) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL5369486 0.88 KMT2A (0.50) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7975763 0.84 ALDH1A1 (0.56) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL16831666 0.82 ALDH1A1 (0.60) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL16831668 0.82 ALDH1A1 (0.60) MEN1KMT2ALMNAALDH1A1HPGD
Oxalic Acid SCHEMBL20984500 0.82 L3MBTL1 (0.48) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL1420955 0.81 PKM (0.46) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL7981517 0.80 PPIA (0.57) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL7981514 0.80 PPIA (0.57) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL194254 0.80 ALDH1A1 (0.50) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 US 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MEN1 990/4885KMT2A 1804/4885LMNA 901/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MEN1 370/4885KMT2A 2988/4885LMNA 114/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MEN1 990/4885KMT2A 1804/4885LMNA 901/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE MEN1 990/4885KMT2A 1804/4885LMNA 901/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE MEN1 990/4885KMT2A 1804/4885LMNA 901/4885

“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.