SCHEMBL4293910

SCHEMBL4293910

O=C(Cc1ccccc1)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
PLAU P00749 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SRD5A2 P31213 2/20 0.46
MAPK1 P28482 3/20 0.46
AURKB Q96GD4 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GPR35 Q9HC97 1/20 0.46
KMT2A Q03164 2/20 0.45
PKM P14618 1/20 0.45
CASP6 P55212 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
Nebicapone SCHEMBL29379610 0.84 TTR (0.56) MAPTKDM4ERAB9AMAPK1ALDH1A1
Nebicapone SCHEMBL132167 0.84 TTR (0.56) MAPTKDM4ERAB9AMAPK1ALDH1A1
SCHEMBL7647310 0.81 DTYMK (0.50) L3MBTL1MAPTSMN1; SMN2PLAUKDM4E
SCHEMBL4293802 0.81 NPC1 (0.65) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27897186 0.80 MAPK1 (0.53) L3MBTL1MAPTSMN1; SMN2KDM4EMAPK1
SCHEMBL10351730 0.79 MAPT (0.58) L3MBTL1MAPTSMN1; SMN2PLAUKDM4E
SCHEMBL8061795 0.79 LMNA (0.57) MAPTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL11703945 0.79 TSHR (0.49) L3MBTL1MAPTSMN1; SMN2KDM4ERAB9A
Benzoic Acid SCHEMBL28359564 0.78 CASP6 (0.64) SMN1; SMN2MAPK1AURKBALDH1A1TP53
SCHEMBL21775014 0.78 ALDH1A1 (0.51) L3MBTL1MAPTSMN1; SMN2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R L3MBTL1 3127/4885MAPT 4442/4885SMN1; SMN2 4585/4885

“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.