SCHEMBL5006944

SCHEMBL5006944

COC(=O)COc1ccc([N+](=O)[O-])cc1Br

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 5/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
HTT P42858 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PKM P14618 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
SCHEMBL7363912 0.87 PTGS2 (0.57) PTGS2KMT2AMEN1L3MBTL1MAPT
SCHEMBL1549394 0.84 PTGS2 (0.54) PTGS2KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL10504393 0.84 PTGS2 (0.54) PTGS2KMT2AMEN1L3MBTL1MAPT
SCHEMBL1106918 0.84 KMT2A (0.56) PTGS2KMT2AMEN1L3MBTL1MAPT
SCHEMBL4978919 0.84 PTGDR2 (0.64) KMT2AMEN1L3MBTL1MAPTSMN1; SMN2
SCHEMBL7778630 0.83 MAPT (0.66) PTGS2KMT2AMEN1MAPTGAA
SCHEMBL4858330 0.83 PTGS2 (0.53) PTGS2KMT2AMEN1L3MBTL1MAPT
SCHEMBL9770414 0.83 PTGDR2 (0.49) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL654525 0.82 PTGS2 (0.54) PTGS2KMT2AMEN1MAPTGAA
SCHEMBL3997757 0.81 ALDH1A1 (0.60) PTGS2KMT2AMEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF PTGS2 3661/4885KMT2A 2622/4885MEN1 1215/4885

“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.