SCHEMBL3509441

SCHEMBL3509441

O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.68
ALDH1A1 P00352 6/20 0.68
MAPT P10636 3/20 0.68
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
GAA P10253 2/20 0.65
PKM P14618 1/20 0.65
SRD5A2 P31213 2/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 2/20 0.54
GPR55 Q9Y2T6 1/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HGFAC Q04756 1/20 0.50
TTR P02766 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
SCHEMBL3509871 0.85 MEN1 (0.68) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL3505195 0.85 ALDH1A1 (0.69) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL9367473 0.84 PDE7A (0.74) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL2967458 0.84 PDE7A (0.78) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL4029870 0.84 PDE7A (0.73) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL8724177 0.83 SRD5A2 (0.61) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL27887553 0.83 MEN1 (0.56) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL3485184 0.83 PDE7A (0.54) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL11198374 0.82 PDE7A (0.76) PDE7AALDH1A1MAPTMEN1KMT2A
SCHEMBL28844690 0.82 PDE7A (0.71) PDE7AALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-1987037-A2 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-11-05 EP disclosed
WO-2007097470-A2 FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-30 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 (1 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-20100234351-A1 FUSED NITROGEN-COMPRISING HETEROCYCLIC COMPOUND NR0B2, NR0B1, NR4A3 PDE7A 4846/4885ALDH1A1 3643/4885MAPT 3766/4885

“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.