SCHEMBL1636077

SCHEMBL1636077

Cc1c([N+](=O)[O-])ccc([N+](=O)[O-])c1F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.60
TSHR P16473 8/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP3A4 P08684 3/20 0.50
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.46
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HIF1A Q16665 2/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
GPR35 Q9HC97 1/20 0.40
VCAM1 P19320 1/20 0.39

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
SCHEMBL2481319 0.89 TDP1 (0.54) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL14411817 0.89 TDP1 (0.54) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL29902915 0.89 TDP1 (0.54) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL574038 0.86 TDP1 (0.50) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL29888274 0.86 TDP1 (0.50) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL3634865 0.86 TSHR (0.55) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL5321161 0.86 TSHR (0.52) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL21373613 0.86 TSHR (0.52) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL27751205 0.86 TDP1 (0.52) TDP1TSHRSMN1; SMN2CYP3A4ATM
SCHEMBL26133898 0.86 TDP1 (0.50) TDP1TSHRSMN1; SMN2CYP3A4ATM

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
EP-1786828-B1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY BIOMERIEUX SA (FR) 2012-01-11 EP disclosed
US-7932050-B2 Enzymatic substrates derived from phenoxazinone and their use as developers in detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2011-04-26 US disclosed
US-20100028926-A1 Novel enzymatic substrates derived from phenoxazinone and their use as developer in detection of microorganisms with peptidase activity BIOMERIEUX (FR) 2010-02-04 US disclosed
US-7626018-B2 Enzymatic substrates derived from phenoxazinone and their use as developer in detection of microorganisms with peptidase activity bioMérieux (FR) 2009-12-01 US disclosed
US-20080293094-A1 Novel Enzymatic Substrates Derived from Phenoxazinone and Their Use as Developer in Detection of Microorganisms with Peptidase Activity BIOMERIEUX (FR) 2008-11-27 US disclosed
EP-1786828-A1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY BIOMERIEUX (FR) 2007-05-23 EP disclosed
WO-2006030119-A1 NOVEL ENZYMATIC SUBSTRATES DERIVED FROM PHENOXAZINONE AND THEIR USE AS DEVELOPER IN DETECTION OF MICRO-ORGANISM WITH PEPTIDASE ACTIVITY bioMérieux (FR) 2006-03-23 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-20080293094-A1 Novel Enzymatic Substrates Derived from Phenoxazinone and Their Use as Developer in Detection of Microorganisms with Peptidase Activity PEPD, CTRL, PREP TDP1 1131/4885TSHR 1894/4885SMN1; SMN2 4717/4885

“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.