Sugi Predict

Sugi Predict / Compounds / SCHEMBL2986244

SCHEMBL2986244

SCHEMBL2986244

CC1(C)CCC(C)(C)c2cc(Nc3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ L3MBTL1 Q9Y468 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ MAPT P10636 7/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ GAA P10253 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ MAPK13 O15264 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ MAPK11 Q15759 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ EPAS1 Q99814 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.44
▸ ALDH3A1 P30838 1/20 0.41
▸ CYP26A1 O43174 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL2982935 0.81 LRRK2 (0.49) MAPK1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL2982924 0.81 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL11506844 0.76 ALDH1A1 (0.89) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL5286643 0.76 MAPK1 (0.47) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL7167600 0.75 TDP1 (0.79) MAPK1TDP1L3MBTL1ALDH1A1CASP7
SCHEMBL23445601 0.75 RARB (0.43) MAPK1ALDH1A1MEN1KMT2ACYP26A1
SCHEMBL22180634 0.74 RARB (0.53) MAPK1ALDH1A1MEN1KMT2ACYP26A1
SCHEMBL25843756 0.74 RARB (0.56) TDP1ALDH1A1MAPTKMT2ARARA
SCHEMBL26306675 0.74 RAB9A (0.52) MAPK1TDP1ALDH1A1MAPTMEN1
SCHEMBL5718635 0.74 MAPK1 (0.77) MAPK1TDP1L3MBTL1ALDH1A1CASP7

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-20100173896-A1 Organic Compounds SAKAKI JUNICHI 2010-07-08 — — US disclosed
US-20100173896-A1 Organic Compounds SAKAKI JUNICHI 2010-07-08 — — US disclosed
US-7709470-B2 11-phenyl-dibenzodiazepine derivatives as RXR-antagonists NOVARTIS AG (CH) 2010-05-04 — — US disclosed
US-7709470-B2 11-phenyl-dibenzodiazepine derivatives as RXR-antagonists NOVARTIS AG (CH) 2010-05-04 — — US disclosed
US-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists NOVARTIS AG (CH) 2007-02-22 — — US disclosed
US-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists NOVARTIS AG (CH) 2007-02-22 — — US disclosed
EP-1618096-A1 11-PHENYL-DIBENZODIAZEPINE DERIVATIVES AS RXR-ANTAGONISTS Novartis AG (CH) 2006-01-25 — — EP disclosed
WO-2004089916-A1 11-PHENYL-DIBENZODIAZEPINE DERIVATIVES AS RXR-ANTAGONISTS NOVARTIS AG (CH) 2004-10-21 — — 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-20070043029-A1 11-Phenyl-dibenzodiazepine derivatives as rxr-antagonists RXRB, RXRA, RXRG MAPK1 1403/4885TDP1 2598/4885L3MBTL1 1011/4885
US-20100173896-A1 Organic Compounds RXRB, RXRA, RXRG MAPK1 4214/4885TDP1 3317/4885L3MBTL1 2914/4885

“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.