SCHEMBL2904745

SCHEMBL2904745

O=C(C=NO)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
PARP1 P09874 1/20 0.53
MAOB P27338 4/20 0.49
MAOA P21397 3/20 0.49
PTPN1 P18031 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP1B1 Q16678 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2904740 1.00 ALDH1A1 (0.54) ALDH1A1GAAMAPTHPGDHTT
Chlorobenzene SCHEMBL28198788 0.83 MAOB (0.51) ALDH1A1GAAMAPTHTTMAOB
SCHEMBL27757879 0.82 MAOB (0.49) MAPTHPGDHTTPARP1MAOB
SCHEMBL31167601 0.80 ALDH1A1 (0.71) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL9122850 0.79 CA12 (0.53) ALDH1A1GAAMAPTPARP1KDM4E
SCHEMBL9122855 0.79 CA12 (0.53) ALDH1A1GAAMAPTPARP1KDM4E
SCHEMBL3045995 0.79 ALDH1A1 (0.59) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL4074756 0.78 CES2 (0.57) MAPTHPGDHTTPARP1CYP1A2
SCHEMBL22715128 0.78 PARP1 (0.53) ALDH1A1GAAMAPTHPGDHTT
SCHEMBL22715126 0.78 PARP1 (0.53) ALDH1A1GAAMAPTHPGDHTT

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-2035573-B1 METHODS FOR IDENTIFYING MODULATORS OF EOXIN FORMATION BIOLIPOX AB (SE) 2010-08-18 EP disclosed
US-20090247634-A1 Methods for identifying modulators of eoxin formation CLAESSON HANS-ERIK 2009-10-01 US disclosed
EP-2035573-A1 METHODS FOR IDENTIFYING MODULATORS OF EOXIN FORMATION Biolipox AB (SE) 2009-03-18 EP disclosed
US-20080227787-A1 Use of New Lipoxygenase Inhibitors BIOLIPOX AB (SE) 2008-09-18 US disclosed
WO-2008001079-A1 METHODS FOR IDENTIFYING MODULATORS OF EOXIN FORMATION BIOLIPOX AB (SE) 2008-01-03 WO disclosed
EP-1725227-A1 USE OF NEW LIPOXYGENASE INHIBITORS Biolipox AB (SE) 2006-11-29 EP disclosed
WO-2005084656-A1 USE OF NEW LIPOXYGENASE INHIBITORS BIOLIPOX AB (SE) 2005-09-15 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 (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-20090247634-A1 Methods for identifying modulators of eoxin formation LTA4H, LTC4S, LTB4R2 ALDH1A1 3239/4885GAA 4108/4885MAPT 3855/4885
US-20080227787-A1 Use of New Lipoxygenase Inhibitors ALOX15, ALOX15B, ALOX12 ALDH1A1 464/4885GAA 2082/4885MAPT 4603/4885

“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.