SCHEMBL4601618

SCHEMBL4601618

Clc1ccc2c(c1)C[C](Br)S2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
AHR P35869 2/20 0.35
HTR2C P28335 4/20 0.34
HTR2A P28223 2/20 0.34
HTR2B P41595 2/20 0.34
METAP1 P53582 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
DRD2 P14416 4/20 0.33
HRH1 P35367 4/20 0.33
DRD4 P21917 2/20 0.33
VHL P40337 1/20 0.33
ELOC Q15369 1/20 0.33
ELOB Q15370 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL5540893 0.78 HPGD (0.44) HPGDL3MBTL1AHRHTR2CHTR2A
SCHEMBL9700006 0.76 HPGD (0.50) HPGDL3MBTL1AHRHTR2CHTR2A
SCHEMBL130334 0.74 HPGD (0.66) HPGDL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL31024159 0.74 HPGD (0.66) HPGDL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL4733314 0.69 RAD52 (0.44) HPGDL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL11710315 0.67 HPGD (0.78) HPGDL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL51879 0.67 HPGD (0.45) HPGDL3MBTL1AHRHTR2CHTR2A
SCHEMBL11753994 0.67 HPGD (0.57) HPGDL3MBTL1HTR2CHTR2AHTR2B
SCHEMBL28264281 0.66 METAP1 (0.38) AHRHTR2CHTR2AMETAP1MAPT
SCHEMBL13864431 0.66 MAPT (0.50) HPGDL3MBTL1AHRHTR2CHTR2A

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-100393720-C Cyclic benzimidazoles. ALTANA PHARMA AG (DE) 2008-06-11 CN disclosed
CN-101198594-A Process for the production of intermadiates for the preparation of tricyclic benzimidazoles NYCOMED GMBH (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 HPGD 886/4885L3MBTL1 2896/4885AHR 2409/4885
US-20070287726-A1 5-Substituted 1H-Pyrrolo [3,2-B] Pyridines GIPR, VIP, PGC HPGD 104/4885L3MBTL1 4524/4885AHR 1606/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI HPGD 810/4885L3MBTL1 4053/4885AHR 2472/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 HPGD 906/4885L3MBTL1 4013/4885AHR 492/4885

“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.