SCHEMBL13330222

SCHEMBL13330222

CC(C)(C)c1ccc(/N=N/c2c(O)ccc3ccccc23)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.52
▸ MAPT P10636 4/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ CSNK2A1 P68400 1/20 0.47
▸ PTPRA P18433 1/20 0.47
▸ PTPRB P23467 1/20 0.47
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL13330216 0.89 MAPT (0.50) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL29353897 0.86 THRB (0.67) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL1394498 0.86 THRB (0.67) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL4223162 0.86 THRB (0.67) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL57955 0.86 THRB (0.67) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL305524 0.85 TSHR (0.57) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL29355385 0.85 TSHR (0.57) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL305525 0.85 TSHR (0.57) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL10809260 0.84 THRB (0.51) THRBMAPTNPC1L3MBTL1MAPK1
SCHEMBL5356875 0.84 THRB (0.51) THRBMAPTNPC1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES UDC IRELAND LIMITED (IE) 2010-05-06 — — 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-20100108994-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES OCIAD1, OCIAD2, OXA1L THRB 2057/4885MAPT 388/4885NPC1 4461/4885

“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.

Send feedback