SCHEMBL3534877

SCHEMBL3534877

O=Cc1n[nH]c2c([N+](=O)[O-])cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
NOS1 P29475 3/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
NOS2 P35228 2/20 0.48
BLM P54132 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
NOS3 P29474 1/20 0.46

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
SCHEMBL760073 0.79 TDP1 (0.52) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL30799054 0.78 MAPT (0.50) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL30799435 0.78 MAPT (0.50) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL13122675 0.78 MAPT (0.55) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL27143397 0.78 MAPT (0.50) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL499421 0.78 MAPT (0.58) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL31114379 0.78 MAPT (0.58) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL3004143 0.78 MAPT (0.50) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL29009519 0.75 NOS1 (0.46) MAPTNOS1ALDH1A1KDM4EMEN1
SCHEMBL3534747 0.75 TRIM24 (0.39) ALDH1A1KDM4EMEN1TSHRBLM

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 MAPT 19/4885NOS1 3481/4885ALDH1A1 1562/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 MAPT 1127/4885NOS1 1142/4885ALDH1A1 618/4885

“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.