Sugi Predict

Sugi Predict / Compounds / SCHEMBL4601208

SCHEMBL4601208

SCHEMBL4601208

COc1ccc(-c2cc[c]o2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.57
▸ ALDH1A1 P00352 7/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ POLB P06746 7/20 0.47
▸ GAA P10253 3/20 0.47
▸ THRB P10828 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ GSK3B P49841 1/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ HPGD P15428 5/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MCL1 Q07820 2/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 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
SCHEMBL10340370 0.80 ALDH1A1 (0.61) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL9034058 0.76 MAPT (0.59) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL790930 0.75 HTT (0.51) MAPTALDH1A1POLBTDP1LMNA
SCHEMBL4517570 0.74 ALDH1A1 (0.50) MAPTALDH1A1KDM4EGAATDP1
SCHEMBL2336139 0.74 HTR7 (0.56) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL3066292 0.72 MAPT (0.79) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL11188343 0.72 HTR7 (0.54) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL99419 0.72 ALDH1A1 (0.57) MAPTALDH1A1KDM4EPOLBTDP1
SCHEMBL1662886 0.71 ALDH1A1 (0.65) MAPTALDH1A1KDM4EPOLBMAPK1
SCHEMBL225789 0.71 GSTP1 (0.58) MAPTALDH1A1KDM4EPOLBGAA

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 83 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
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-1718648-B1 TRICYCLIC IMIDAZOPYRIDINES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF NYCOMED GMBH (DE) 2008-04-23 — — EP disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 — — EP disclosed
US-20080033006-A1 1,2,4-Triazolo[ 1,5-A] Pyridines as Gastric Acid Secretion Inhibitors ALTANA PHARMA AG (DE) 2008-02-07 — — US disclosed
US-7314935-B2 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2008-01-01 — — 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-2003014123-A1 TRICYCLIC IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2003-02-20 — — WO disclosed
WO-2003014120-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDINES FOR THE TREATMENT OF GASTROINTESTINAL DISEASES 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 MAPT 3207/4885ALDH1A1 1947/4885KDM4E 3631/4885
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC MAPT 4798/4885ALDH1A1 777/4885KDM4E 2549/4885
US-20080033006-A1 1,2,4-Triazolo[ 1,5-A] Pyridines as Gastric Acid Secretion Inhibitors CCKBR, GIPR, PGA5 MAPT 4732/4885ALDH1A1 715/4885KDM4E 2527/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI MAPT 4866/4885ALDH1A1 2588/4885KDM4E 3472/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 MAPT 4107/4885ALDH1A1 76/4885KDM4E 2195/4885

“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.