SCHEMBL13639122

SCHEMBL13639122

COOCc1cccc(Oc2ccc([N+](=O)[O-])cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
HSPB1 P04792 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 8/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAOB P27338 2/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAOA P21397 1/20 0.42
RGS12 O14924 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL8410546 0.84 HSPB1 (0.54) L3MBTL1HSPB1GAAMAPTNPSR1
SCHEMBL9899761 0.83 ALOX5 (0.53) L3MBTL1HSPB1GAAMAPTNPSR1
SCHEMBL7802307 0.82 HSPB1 (0.53) L3MBTL1HSPB1GAAMAPTNPSR1
SCHEMBL19834587 0.81 HSPB1 (0.52) L3MBTL1HSPB1GAAMAPTNPSR1
SCHEMBL20932453 0.80 HSPB1 (0.62) L3MBTL1HSPB1GAAMAPTNPSR1
SCHEMBL13639123 0.79 KDM4E (0.64) MAOBALDH1A1SMN1; SMN2MAPK1MEN1
SCHEMBL11349108 0.79 HSPB1 (0.58) L3MBTL1HSPB1GAAMAPTNPSR1
SCHEMBL13981842 0.79 ALDH1A1 (0.41) L3MBTL1GAANPSR1MAOBALDH1A1
SCHEMBL28008405 0.77 TSHR (0.59) MAPTMAOBALDH1A1LMNATDP1
SCHEMBL30354969 0.76 HSPB1 (0.70) L3MBTL1HSPB1GAAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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 (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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX L3MBTL1 2234/4885HSPB1 4686/4885GAA 4732/4885

“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.