SCHEMBL7028658

SCHEMBL7028658

O=[N+]([O-])c1cc(Sc2ccc(O)c([N+](=O)[O-])c2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.60
GPR35 Q9HC97 2/20 0.60
TP53 P04637 2/20 0.60
HPGD P15428 2/20 0.60
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ALDH5A1 P51649 1/20 0.55
ABAT P80404 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL11189545 0.93 MAPK1 (0.53) MAPK1GPR35TP53HPGDTSHR
SCHEMBL20727298 0.91 MAPK1 (0.51) MAPK1GPR35TP53HPGDTSHR
SCHEMBL11193900 0.90 MAPT (0.52) MAPK1GPR35TP53HPGDTSHR
SCHEMBL11195087 0.90 PDE7A (0.51) MAPK1GPR35TP53HPGDTSHR
SCHEMBL13346846 0.86 GPR35 (0.58) MAPK1GPR35TP53HPGDTSHR
SCHEMBL11192212 0.86 MAPT (0.48) MAPK1GPR35TP53HPGDTSHR
SCHEMBL4544584 0.85 MAPK1 (0.56) MAPK1GPR35TP53HPGDTSHR
SCHEMBL31510258 0.85 MAPK1 (0.56) MAPK1GPR35TP53HPGDTSHR
SCHEMBL27496923 0.83 MAPK1 (0.55) MAPK1GPR35TP53HPGDTSHR
SCHEMBL11188749 0.82 ALDH1A1 (0.46) MAPK1GPR35TP53HPGDTSHR

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 8 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
EP-0083204-A2 2-Aminophenol derivatives and process for their preparation ONO PHARMACEUTICAL CO., LTD. (JP) 1983-07-06 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 MAPK1 2163/4885GPR35 3425/4885TP53 2218/4885

“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.