SCHEMBL3534261

SCHEMBL3534261

O=[N+]([O-])c1ccc(Oc2cccc3cc[nH]c23)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.52
MAPT P10636 13/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
LMNA P02545 7/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 4/20 0.40
RGS12 O14924 2/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
PABPC1 P11940 1/20 0.40
BLM P54132 1/20 0.39
KDM4E B2RXH2 3/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MAPK1 P28482 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
SCHEMBL3050720 0.80 HSPB1 (0.52) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL10990163 0.79 HSPB1 (0.56) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL3484813 0.75 KMT2A (0.60) MAPTNPSR1GAAMEN1KMT2A
SCHEMBL27449389 0.74 HSPB1 (0.70) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL16792621 0.74 HSPB1 (0.67) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL1978695 0.74 KEAP1 (0.59) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL25200788 0.73 HSPB1 (0.59) HSPB1MAPTL3MBTL1MEN1KMT2A
SCHEMBL16792542 0.73 HSPB1 (0.75) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL25184221 0.73 KMT2A (0.60) HSPB1MAPTNPSR1GAAL3MBTL1
SCHEMBL17571121 0.73 HSPB1 (0.59) HSPB1MAPTNPSR1GAAL3MBTL1

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-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
EP-1401831-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2004-03-31 EP disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 US disclosed
WO-2003004488-A1 INDAZOLE BENZIMIDAZOLE COMPOUNDS AS TYROSINE AND SERINE/THREONINE KINASE INHIBITORS CHIRON CORPORATION (US) 2003-01-16 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK HSPB1 2194/4885MAPT 19/4885NPSR1 4773/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 HSPB1 4245/4885MAPT 1127/4885NPSR1 4656/4885

“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.