SCHEMBL4306587

SCHEMBL4306587

O=[N+]([O-])c1cccc2c([N+](=O)[O-])cc[c]c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.61
ALDH1A1 P00352 7/20 0.53
POLB P06746 1/20 0.46
GPR35 Q9HC97 1/20 0.44
GAA P10253 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CTSB P07858 1/20 0.42
NOS1 P29475 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PARP1 P09874 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL57166 0.77 TDP1 (1.00) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL29475175 0.77 TDP1 (1.00) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL249714 0.76 TDP1 (0.52) TDP1ALDH1A1POLBCYP3A4ALOX15
SCHEMBL643696 0.76 ALDH1A1 (0.50) TDP1ALDH1A1GPR35GAACYP3A4
SCHEMBL8370815 0.76 TDP1 (0.52) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL28093598 0.75 TDP1 (0.95) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL386455 0.74 TDP1 (0.61) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL10526689 0.74 TDP1 (0.74) TDP1ALDH1A1POLBGPR35GAA
SCHEMBL28027350 0.73 TDP1 (0.73) TDP1ALDH1A1POLBGPR35NCOA1
SCHEMBL11838471 0.73 TDP1 (0.48) TDP1ALDH1A1GPR35HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 US disclosed
US-7157442-B2 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2007-01-02 US disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 US disclosed
EP-1209166-B1 NOVEL A-500359 DERIVATIVES SANKYO CO (JP) 2004-03-31 EP disclosed
US-20030171330-A1 Antibacterial compound SANKYO COMPANY, LIMITED (JP) 2003-09-11 US disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 EP disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 US disclosed
EP-1209166-A1 NOVEL A-500359 DERIVATIVES Sankyo Company, Limited (JP) 2002-05-29 EP disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 EP disclosed
EP-0609058-B1 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 1998-12-09 EP disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed
EP-0609058-A2 Hexahydronaphthalene ester derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1994-08-03 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 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 (3 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG TDP1 4024/4885ALDH1A1 2628/4885POLB 1399/4885
US-20030171330-A1 Antibacterial compound TLR1, MPO, O60361 TDP1 4351/4885ALDH1A1 356/4885POLB 1072/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 TDP1 3707/4885ALDH1A1 858/4885POLB 2609/4885

“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.