SCHEMBL5372163

SCHEMBL5372163

COc1ccc(-c2nn(COC(C)OC)c3ccc([N+](=O)[O-])cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
CNR2 P34972 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CNR1 P21554 2/20 0.48
PTPN11 Q06124 1/20 0.48
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT1 P42224 1/20 0.41
HTT P42858 1/20 0.41
NPBWR1 P48145 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL5375068 0.88 L3MBTL1 (0.44) ACHECNR2L3MBTL1CNR1PTPN11
SCHEMBL5377924 0.87 L3MBTL1 (0.52) ACHECNR2L3MBTL1CNR1MAPT
SCHEMBL5377138 0.81 CNR2 (0.45) ACHECNR2L3MBTL1CNR1MAPT
SCHEMBL5383375 0.80 KDM4E (0.45) CNR2CNR1MAPTSMN1; SMN2RAB9A
SCHEMBL5381747 0.73 F2RL3 (0.48) ACHECNR2L3MBTL1CNR1PTPN11
SCHEMBL5518753 0.71 L3MBTL1 (0.58) ACHECNR2L3MBTL1CNR1MAPT
SCHEMBL3515950 0.71 L3MBTL1 (0.47) ACHECNR2L3MBTL1CNR1PTPN11
SCHEMBL1163283 0.69 CNR2 (0.56) ACHECNR2CNR1MAPTSMN1; SMN2
SCHEMBL5383853 0.69 PTPN11 (0.47) ACHECNR2L3MBTL1CNR1PTPN11
SCHEMBL5377584 0.69 KMT2A (0.45) MAPTSMN1; SMN2LMNAMEN1KMT2A

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
US-7220771-B2 Methods of using indazole derivatives as JNK inhibitors SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-22 US disclosed
US-7211594-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-05-01 US disclosed
US-7208513-B2 Indazole compounds and compositions thereof as JNK inhibitors and for the treatment of diseases associated therewith SIGNAL PHARMACEUTICALS, LLC (US) 2007-04-24 US disclosed
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SINGNAL PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 US disclosed
US-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC 2004-07-01 US disclosed
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, INC. 2004-04-22 US 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 (5 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-20040127536-A1 Methods for treating an inflammatory condition or inhibiting JNK MAPK1, MAP3K1, MAPKAPK2 ACHE 3481/4885CNR2 1118/4885L3MBTL1 2642/4885
US-20040077877-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ACHE 2800/4885CNR2 1608/4885L3MBTL1 3141/4885
US-20070060616-A1 Methods for treating, preventing and managing chronic lymphocytic leukemia with indazole compounds BCL9, MCL1, INMT ACHE 1791/4885CNR2 1322/4885L3MBTL1 1035/4885
US-20050107457-A1 Indazole derivatives as JNK inhibitors and compositions and methods related thereto MAP3K7, MAP3K1, MAP3K8 ACHE 2632/4885CNR2 1556/4885L3MBTL1 3245/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R ACHE 1705/4885CNR2 969/4885L3MBTL1 3842/4885

“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.