SCHEMBL5773944

SCHEMBL5773944

CC(=O)C(=O)Oc1ccc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
S100A4 P26447 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 2/20 0.40
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PDK1 Q15118 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL1068743 0.88 SMN1; SMN2 (0.50) ABCB1ABCC1S100A4TRPV1MAPT
SCHEMBL27892308 0.86 SMN1; SMN2 (0.49) ABCB1ABCC1S100A4TRPV1MAPT
SCHEMBL6885938 0.84 PTGDR2 (0.35) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL22321528 0.83 ABCB1 (0.42) ABCB1ABCC1S100A4TRPV1MAPT
SCHEMBL11643870 0.81 ABCB1 (0.44) ABCB1ABCC1S100A4TRPV1MAPT
SCHEMBL27714420 0.81 VCP (0.46) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL7674664 0.80 ABCB1 (0.43) ABCB1ABCC1S100A4TRPV1MAPT
SCHEMBL4763859 0.79 ABCB1 (0.43) ABCB1ABCC1S100A4TRPV1MAPT
SCHEMBL27661940 0.78 TBXA2R (0.45) ABCB1ABCC1MAPTALDH1A1MEN1
SCHEMBL5917477 0.78 BCL9 (0.50) ABCB1ABCC1MAPTALDH1A1MEN1

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
EP-1003721-B1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LTD (GB) 2006-11-02 EP disclosed
EP-1263728-A2 PDE IV INHIBITING AMIDES, COMPOSITIONS AND PHARMACEUTICAL USE MERCK FROSST CANADA INC. (CA) 2002-12-11 EP disclosed
US-6436965-B1 INHIBITION OF PHOSPHODIESTERASE; 3-CARBOCYCLIC(ALKYL)OXY-2-ARYL(ALKYL)AMINOCARBONYL-1-ARYL(ALKYL)INDOLE OR AZAINDOLE DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-08-20 US disclosed
US-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment MERCK FROSST CANADA LTD. (CA) 2002-06-06 US disclosed
WO-2001064639-A2 PDE IV INHIBITING AMIDES, COMPOSITIONS AND PHARMACEUTICAL USE MERCK FROSST CANADA & CO. (CA) 2001-09-07 WO disclosed
US-6268391-B1 Benzylidene-1,3-dihydro-indol-2-one derivatives a receptor tyrosine kinase inhibitors, particularly of Raf kinases GLAXO WELLCOME INC. 2001-07-31 US disclosed
EP-1003721-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 2000-05-31 EP disclosed
WO-1999010325-A1 BENZYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS, PARTICULARLY OF RAF KINASES GLAXO GROUP LIMITED (GB) 1999-03-04 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-20020068756-A1 PDE IV inhibiting amides, compositions and methods of treatment PDE3A, PDE3B, PDE4A ABCB1 1430/4885ABCC1 1307/4885S100A4 3797/4885

“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.