SCHEMBL6157958

SCHEMBL6157958

O=Cc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
ALDH1A1 P00352 7/20 0.67
LMNA P02545 3/20 0.67
TTR P02766 3/20 0.57
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
HPSE Q9Y251 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
MAPK1 P28482 2/20 0.52
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
VCAM1 P19320 1/20 0.51
ALB P02768 1/20 0.50
THRB P10828 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PAX8 Q06710 1/20 0.50
HPGD P15428 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL811412 0.86 MEN1 (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13220970 0.85 ALDH1A1 (0.70) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13220960 0.85 CRHBP (0.72) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3928064 0.85 MAPT (0.74) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13220948 0.82 ALDH1A1 (0.61) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL13220963 0.82 MAPT (0.62) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL7971986 0.81 HPGD (0.53) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL29159284 0.81 MAPT (0.73) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL30159245 0.81 MAPT (0.73) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL27705659 0.81 MAPT (0.73) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-6924292-B2 Furoisoquinoline derivatives, process for producing the same and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed
EP-0848703-B1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 2000-09-27 EP disclosed
US-6004948-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION NYCOMED AUSTRIA GMBH (AT) 1999-12-21 US disclosed
EP-0848703-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II Nycomed Austria GmbH (AT) 1998-06-24 EP disclosed
EP-0532767-B1 3-Phenoxybenzyl(idene)pyrrolidine derivatives, their preparation and their use as muscarinic cholinergic agents KANEGAFUCHI CHEMICAL IND (JP) 1997-03-05 EP disclosed
WO-1997003953-A1 DERIVATIVES OF BENZOSULPHONAMIDES AS INHIBITORS OF THE ENZYME CYCLO-OXYGENASE II NYCOMED AUSTRIA GMBH (AT) 1997-02-06 WO disclosed
US-5270339-A Phenoxybenzene derivative KANAGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-12-14 US disclosed
EP-0532767-A1 3-Phenoxybenzyl(idene)pyrrolidine derivatives, their preparation and their use as muscarinic cholinergic agents KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1993-03-24 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 (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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 MAPT 4629/4885MEN1 3957/4885KMT2A 1898/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 MAPT 4540/4885MEN1 3906/4885KMT2A 1850/4885

“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.