Sugi Predict

Sugi Predict / Compounds / SCHEMBL6239386

SCHEMBL6239386

SCHEMBL6239386

COc1ccc([N+](=O)[O-])c2c3c(n(C)c12)C(=O)NCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.36
▸ PARP1 P09874 3/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ NCOA1 Q15788 2/20 0.35
▸ NCOA3 Q9Y6Q9 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CHEK1 O14757 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL15016092 0.78 PARP1 (0.39) PARP1CYP19A1NQO2ALDH1A1NCOA1
SCHEMBL72968 0.77 PARP1 (0.37) PARP1CYP19A1NQO2ALDH1A1NCOA1
SCHEMBL30730915 0.71 ALDH1A1 (0.44) LMNASIRT6ALDH1A1TDP1MAPT
SCHEMBL5354007 0.71 ALDH1A1 (0.44) LMNASIRT6ALDH1A1TDP1MAPT
SCHEMBL2983536 0.64 NOTUM (0.41) LMNASIRT6ALDH1A1NCOA1NCOA3
SCHEMBL19233886 0.64 MEN1 (0.42) PARP1ALDH1A1TDP1HTTMEN1
SCHEMBL29520449 0.63 MEN1 (0.48) LMNASIRT6PARP1ALDH1A1TDP1
SCHEMBL29037818 0.63 MEN1 (0.48) LMNASIRT6PARP1ALDH1A1TDP1
SCHEMBL2205282 0.63 MEN1 (0.48) LMNASIRT6PARP1ALDH1A1TDP1
SCHEMBL12087016 0.63 HTR2A (0.40) LMNASIRT6PARP1ALDH1A1NCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-30 — — US disclosed
US-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION (US) 2005-06-23 — — US disclosed
WO-2005009370-A2 BETA-CARBOLINE COMPOUNDS AND ANALOGUES THEREOF AND THEIR USE AS MITOGEN-ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS PHARMACIA CORPORATION (US) 2005-02-03 — — 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-20050137220-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP4K2, MAP3K2 LMNA 3942/4885SIRT6 1783/4885PARP1 1407/4885
US-20050143371-A1 Beta-carboline compounds and analogues thereof as mitogen-activated protein kinase-activated protein kinase-2 inhibitors MAP4K2, MAPKAPK2, MAP3K2 LMNA 2064/4885SIRT6 2484/4885PARP1 767/4885

“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.