Sugi Predict

Sugi Predict / Compounds / SCHEMBL772678

SCHEMBL772678

SCHEMBL772678

O=C1NC(=O)c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ MAOA P21397 4/20 0.51
▸ MAOB P27338 3/20 0.51
▸ LMNA P02545 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GRIK1 P39086 1/20 0.50
▸ GRIA1 P42261 1/20 0.50
▸ GRIA2 P42262 1/20 0.50
▸ GRIA3 P42263 1/20 0.50
▸ GRIA4 P48058 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIK2 Q13002 1/20 0.50

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
SCHEMBL3870583 0.87 TDP1 (0.52) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL786237 0.86 CYP3A4 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL421305 0.86 CYP3A4 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL30577139 0.86 TDP1 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL438741 0.86 TDP1 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL24414604 0.86 MAOA (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL29835178 0.86 CYP3A4 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL438752 0.86 CYP3A4 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL787009 0.86 TDP1 (0.50) CYP3A4TDP1MAOAMAOBLMNA
SCHEMBL28012095 0.84 CYP3A4 (0.49) CYP3A4TDP1MAOAMAOBLMNA

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-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 — — US disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 — — US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 — — US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 — — US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 — — US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 — — US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 — — US disclosed
WO-2008021369-A2 TRICYCLIC COMPOUNDS AND ITS USE AS TYROSINE KINASE MODULATORS CHEMBRIDGE RESEARCH LABORATORIES, INC. (US) 2008-02-21 — — 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 (3 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP3A4 1201/4885TDP1 376/4885MAOA 1818/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP CYP3A4 1201/4885TDP1 376/4885MAOA 1818/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP CYP3A4 1201/4885TDP1 376/4885MAOA 1818/4885

“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.