Sugi Predict

Sugi Predict / Compounds / SCHEMBL4601623

SCHEMBL4601623

SCHEMBL4601623

Clc1ccc2[c]c(Br)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ GFER P55789 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ BCKDK O14874 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL4601620 0.85 KDM4E (0.36) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL5535514 0.77 KDM4E (0.37) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL10565676 0.66 ABL1 (0.44) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL23149843 0.65 GAA (0.38) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL4922527 0.64 BCKDK (0.53) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL31228783 0.64 BCKDK (0.53) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL4919520 0.64 MIF (0.46) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL1639542 0.64 NPC1 (0.58) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL30406558 0.64 MIF (0.46) KDM4EGAAALDH1A1MEN1MAPT
SCHEMBL25824620 0.64 BCKDK (0.44) KDM4EGAAALDH1A1MEN1MAPT

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 97 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
CN-101198594-A Process for the production of intermadiates for the preparation of tricyclic benzimidazoles NYCOMED GMBH (DE) 2008-06-11 — — CN disclosed
CN-100393720-C Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2008-06-11 — — CN 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
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 (4 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 KDM4E 3631/4885GAA 64/4885ALDH1A1 1947/4885
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC KDM4E 2549/4885GAA 635/4885ALDH1A1 777/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI KDM4E 3472/4885GAA 65/4885ALDH1A1 2588/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 KDM4E 2195/4885GAA 1471/4885ALDH1A1 76/4885

“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.