SCHEMBL4664696

SCHEMBL4664696

CCOC(=O)c1cc(O)c2nc(C)n(C)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
PTPN11 Q06124 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B2 P37059 1/20 0.43
BCL2L1 Q07817 1/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
JMJD6 Q6NYC1 1/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NR1H2 P55055 1/20 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
SCHEMBL3558933 0.86 KDM4E (0.49) CA12CA1CA2CA7CA9
SCHEMBL4634178 0.85 CA12 (0.43) CA12CA1CA2CA7CA9
SCHEMBL5901225 0.82 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL4632328 0.81 KMT2A (0.49) NPSR1ESR1NPC1RAB9ASMN1; SMN2
SCHEMBL30645297 0.78 TSHR (0.49) CA12CA1CA2CA7CA9
SCHEMBL16372085 0.78 TSHR (0.49) CA12CA1CA2CA7CA9
SCHEMBL4737793 0.78 KDM4E (0.41) CA12CA1CA2CA7CA9
SCHEMBL5901336 0.76 PPIA (0.47) NPSR1JMJD6ALOX15NPC1RAB9A
SCHEMBL14800136 0.76 KDM4E (0.58) CYP2C19CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL5901208 0.75 CYP3A4 (0.60) CYP2C19CYP1A2CYP2D6ALOX15NPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1575924-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA Pharma AG (DE) 2005-09-21 EP disclosed
WO-2004054984-A1 4-SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS INHIBITORS OF GASTRIC SECRETION ALTANA PHARMA AG (DE) 2004-07-01 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR CA12 1266/4885CA1 804/4885CA2 684/4885
US-20060194969-A1 4-Substituted benzimidazoles and their uses as inhibitors of gastric secretion GIPR, VIP, SI CA12 2831/4885CA1 1750/4885CA2 975/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI CA12 3123/4885CA1 2234/4885CA2 657/4885
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 CA12 2917/4885CA1 2337/4885CA2 1781/4885

“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.