SCHEMBL3036984

SCHEMBL3036984

O=[N+]([O-])c1[c]cc(O)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HIF1A Q16665 2/20 0.41
SNCA P37840 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
SCHEMBL3046926 0.84 GPR35 (0.46) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL3274968 0.83 SNCA (0.39) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL2886629 0.81 CYP3A4 (0.39) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL4902091 0.78 CA12 (0.34) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL6282528 0.76 TSHR (0.42) GPR35MAPK1HPGDALDH1A1TSHR
SCHEMBL1822058 0.76 ALDH1A1 (0.46) GPR35MAPK1HPGDALDH1A1TP53
SCHEMBL1891926 0.76 TSHR (0.44) GPR35HPGDALDH1A1TSHRSMN1; SMN2
SCHEMBL6036448 0.74 ALDH1A1 (0.42) MAPK1ALDH1A1SMN1; SMN2ALOX15HSD17B10
SCHEMBL1356676 0.73 ALDH1A1 (0.47) MAPK1ALDH1A1TSHRSMN1; SMN2ALOX15
SCHEMBL11835122 0.73 GPR35 (0.60) GPR35MAPK1HPGDALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362243-B2 Method for selective localization of active agents at and in mitochondria and corresponding active agents UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2013-01-29 US disclosed
US-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS UGICHEM GESELLSCHAFT FUER ORGANISCHE CHEMIE MBH (AT) 2010-01-14 US disclosed
EP-0686043-B1 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1999-06-23 EP disclosed
EP-0686043-A4 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1996-04-17 EP disclosed
US-5496546-A INHIBITORS OF RIBONUCLEASE OF TRANSCRIPTASE Wang, Jui H. (US) 1996-03-05 US disclosed
EP-0686043-A1 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG, Jui, H. (US) 1995-12-13 EP disclosed
WO-1994019012-A2 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1994-09-01 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-20100009895-A1 METHOD FOR SELECTIVE LOCALIZATION OF ACTIVE AGENTS AT AND IN MITOCHONDRIA AND CORRESPONDING ACTIVE AGENTS TFB2M, TFAM, SHMT2 GPR35 1586/4885MAPK1 3837/4885HPGD 304/4885

“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.