Sugi Predict

Sugi Predict / Compounds / SCHEMBL2072913

SCHEMBL2072913

SCHEMBL2072913

Cc1[c]c2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.49
▸ GRIA2 P42262 1/20 0.49
▸ GRIA3 P42263 1/20 0.49
▸ GRIA4 P48058 1/20 0.49
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ NPY2R P49146 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ CYP19A1 P11511 2/20 0.43

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
SCHEMBL10492182 0.81 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8697240 0.79 TSHR (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8409596 0.76 ALDH1A1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8409653 0.75 CACNA1C (0.47) ALDH1A1MAPTPOLBMEN1PKM
SCHEMBL27868663 0.75 TUBB4A (0.43) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL9400558 0.70 MAPT (0.54) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6015758 0.69 CYP2A6 (0.46) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL1492708 0.69 LMNA (0.42) ALDH1A1MAPTPOLBMEN1KMT2A
SCHEMBL2073232 0.69 GAA (0.38) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL2980594 0.69 MAPT (0.51) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines ALTANA PHARMA AG (DE) 2007-12-13 — — US claimed
EP-1776361-A1 5-SUBSTITUTED 1H-PYRROLOÝ3,2-B¨PYRIDINES Altana Pharma AG (DE) 2007-04-25 — — EP claimed
WO-2006013195-A1 5-SUBSTITUTED 1H-PYRROLO[3,2-B]PYRIDINES ALTANA PHARMA AG (DE) 2006-02-09 — — WO claimed
EP-1828171-B1 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2014-03-12 — — EP disclosed
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 — — CN disclosed
US-7863294-B2 Heterocycle derivatives as histone deacetylase (HDAC) inhibitors INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-01-04 — — US disclosed
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-02-19 — — US disclosed
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 — — US disclosed
WO-2008074858-A1 INTERMEDIATES AND PROCESS FOR THE PRODUCTION OF 5-SUBSTITUTED TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2008-06-26 — — WO disclosed
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 — — US disclosed
US-20080113962-A1 Condensed Tricyclic Benzimidazoles For the Treatment of Gastrointestinal Disorders AITANA PHARMA AG (DE) 2008-05-15 — — US disclosed
EP-1414821-A1 TRICYCLIC EPOXIDES ALTANA Pharma AG (DE) 2004-05-06 — — EP disclosed
WO-2003091253-A1 NITROSATED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-11-06 — — WO disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 — — WO disclosed
EP-1332143-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA Pharma AG (DE) 2003-08-06 — — EP disclosed
WO-2003016310-A1 ALKYL-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ALTANA PHARMA AG (DE) 2003-02-27 — — WO disclosed
WO-2003014120-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISEASES ALTANA PHARMA AG (DE) 2003-02-20 — — WO disclosed
WO-2003014123-A1 TRICYCLIC IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-02-20 — — WO disclosed
WO-2003014119-A1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2003-02-20 — — WO disclosed
WO-2002034749-A1 POLYSUBSTITUTED IMIDAZOPYRIDINES AS GASTRIC SECRETION INHIBITORS ALTANA PHARMA AG (DE) 2002-05-02 — — 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 (5 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-20080113962-A1 Condensed Tricyclic Benzimidazoles For the Treatment of Gastrointestinal Disorders PGC, SI, VIP GRIA1 2856/4885GRIA2 2446/4885GRIA3 2894/4885
US-20090048228-A1 Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC5, HDAC11 GRIA1 782/4885GRIA2 1350/4885GRIA3 655/4885
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC GRIA1 662/4885GRIA2 1051/4885GRIA3 874/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI GRIA1 2352/4885GRIA2 2285/4885GRIA3 1861/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 GRIA1 2065/4885GRIA2 3260/4885GRIA3 3525/4885

“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.