SCHEMBL2524312

SCHEMBL2524312

CNc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.58
GPR35 Q9HC97 2/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 6/20 0.47
S100A4 P26447 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KCNMA1 Q12791 1/20 0.44
RECQL P46063 1/20 0.43
CXCR2 P25025 1/20 0.42
GALR2 O43603 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP7 P55210 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4151648 0.88 TSHR (0.60) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL8051898 0.86 GPR35 (0.56) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL7786752 0.86 TDP1 (0.48) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL29483006 0.86 TDP1 (0.48) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL102957 0.86 MAPT (0.49) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL28035882 0.86 TDP1 (0.48) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL4725194 0.86 TDP1 (0.48) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL4725240 0.86 TDP1 (0.48) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL26908112 0.83 ERN1 (0.57) TDP1GPR35TSHRSMN1; SMN2HSD17B10
SCHEMBL6930910 0.83 ALDH1A1 (0.62) TDP1SMN1; SMN2ALDH1A1L3MBTL1RECQL

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
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
WO-2023092175-A1 NOVEL P2X7 RECEPTOR ANTAGONISTS THE UNIVERSITY OF SYDNEY (AU) 2023-06-01 WO disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 US disclosed
WO-2012068211-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 WO disclosed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
EP-2125753-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008082003-A1 FUSED HETEROCYCLIC COMPOUNDS HAVING CRF ANTAGONISTIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 WO disclosed
EP-1677791-A4 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-08-15 EP disclosed
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-14 US disclosed
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-12-07 US disclosed
EP-1677791-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005044793-A2 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (4 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH TDP1 4718/4885GPR35 259/4885TSHR 291/4885
US-20060276339-A1 Methods and compositions for increasing the efficacy of biologically-active ingredients ENPP1, ENPP3, SMPD1 TDP1 696/4885GPR35 4472/4885TSHR 3929/4885
US-20070135452-A1 Nitrogen-containing fused heterocyclic compounds NPY4R, NR4A3, NR3C2 TDP1 4581/4885GPR35 268/4885TSHR 278/4885
US-20120129811-A1 TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP1, MMP3, MMP13 TDP1 365/4885GPR35 3668/4885TSHR 1534/4885

“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.