SCHEMBL7156190

SCHEMBL7156190

O=S(=O)(O)c1ccc(O)c2ncccc12.O=S(=O)(O)c1ccc(O)c2ncccc12.O=S(=O)(O)c1ccc(O)c2ncccc12.[Na]

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
COMT P21964 6/20 0.97
FTO Q9C0B1 2/20 0.73
ALDH1A1 P00352 1/20 0.65
CYP1A2 P05177 1/20 0.65
ALOX15 P16050 1/20 0.65
HIF1A Q16665 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MEN1 O00255 1/20 0.64
NSD2 O96028 1/20 0.64
POLB P06746 1/20 0.64
IDE P14735 1/20 0.64
DUSP3 P51452 1/20 0.64
CCR6 P51684 1/20 0.64
BLM P54132 1/20 0.64
KMT2A Q03164 1/20 0.64
KDM4E B2RXH2 4/20 0.61
GLO1 Q04760 1/20 0.57

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
SCHEMBL7151883 1.00 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL114961 0.98 COMT (1.00) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL29456746 0.98 COMT (1.00) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL8847297 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL1873349 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL9407080 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL9511337 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL11317138 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
Water SCHEMBL10628327 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15
SCHEMBL10728563 0.97 COMT (0.97) COMTFTOALDH1A1CYP1A2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579633-B2 Metal sulfonates of metal complexes of hydroxy- and mercapto-quinolines, benzoxazoles, benzothiazoles, benzotriazoles, benzoselenazoles, benzotellurazoles and phenanthridines NESSDISPLAY CO., LTD. (KR) 2003-06-17 US disclosed
US-6534201-B2 Metal sulfonates of metal complexes of hydroxy- and mercapto-quinolines, benzoxazoles, benzothiazoles, benzotriazoles, benzoselenazoles, benzotellurazoles and phenanthridines DONGJIN SEMICHEM CO., LTD. (KR) 2003-03-18 US disclosed
US-20020045063-A1 Novel organometallic luminescent materials and organic electroluminescent device containing same NESSDISPLAY CO., LTD. 2002-04-18 US disclosed
US-20020045065-A1 Novel organometallic luminescent materials and organic electroluminescent device containing same NESSDISPLAY CO., LTD. 2002-04-18 US disclosed
US-20020045064-A1 Novel organometallic luminescent materials and organic electroluminescent device containing same NESSDISPLAY CO., LTD. 2002-04-18 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 (2 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-20020045065-A1 Novel organometallic luminescent materials and organic electroluminescent device containing same IK, LAGE3, NDUFV2 COMT 217/4885FTO 507/4885ALDH1A1 207/4885
US-20020045063-A1 Novel organometallic luminescent materials and organic electroluminescent device containing same IK, LAGE3, NDUFV2 COMT 217/4885FTO 507/4885ALDH1A1 207/4885

“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.