SCHEMBL7108888

SCHEMBL7108888

O=[N+]([O-])c1cc([S+]([O-])c2ccc(O)c([N+](=O)[O-])c2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPK1 P28482 2/20 0.58
GPR35 Q9HC97 2/20 0.58
TP53 P04637 2/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH5A1 P51649 1/20 0.53
ABAT P80404 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
MAPT P10636 6/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL11197700 0.92 MAPK1 (0.50) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL8159792 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL21695808 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL21695800 0.81 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL15847135 0.81 MAPK1 (0.50) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
2,4-Dinitrophenol SCHEMBL29185017 0.76 GPR35 (0.96) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL2801920 0.76 GPR35 (0.62) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL6031674 0.75 MAPK1 (0.67) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL69947 0.75 MAPK1 (0.67) SMN1; SMN2ALDH1A1MAPK1GPR35TP53
SCHEMBL29502912 0.75 MAPK1 (0.67) SMN1; SMN2ALDH1A1MAPK1GPR35TP53

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
CN-1216851-C Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2005-08-31 CN disclosed
US-6608233-B2 Nitrating a bis(4-hydroxyphenyl) bonded to each other or through an electron-donating bridging group, sulfoxide, sulfone or carbonyl group using nitric acid in a solvent and free from other acids NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-08-19 US disclosed
CN-1426390-A Process for producing bis (4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KK (JP) 2003-06-25 CN disclosed
US-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2003-03-20 US disclosed
EP-1277727-A1 PROCESS FOR PRODUCING BIS(4-HYDROXY-3-NITROPHENYL) COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2003-01-22 EP disclosed
US-5977413-A Method for producing bis(3-amino-4-hydroxyphenyl) compounds NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-11-02 US disclosed
EP-0895985-A2 Method for producing bis(3-amino-4-hydroxyphenyl) compounds Nippon Kayaku Kabushiki Kaisha (JP) 1999-02-10 EP 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-20030055288-A1 Process for producting bis(4-hydroxy-3-nitrophenyl) compound NOS3, NOS2, NOS1 SMN1; SMN2 979/4885ALDH1A1 1215/4885MAPK1 2163/4885

“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.