SCHEMBL3166179

SCHEMBL3166179

CCOC(=O)c1csc(CNC(=O)OCc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MAPT P10636 4/20 0.54
MMP13 P45452 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HSP90AA1 P07900 2/20 0.51
MMP1 P03956 1/20 0.50
MAPK1 P28482 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL3165764 0.87 MMP2 (0.53) MMP13SMN1; SMN2MMP1MAPK1HDAC6
SCHEMBL7165785 0.85 CTSK (0.58) HDAC6
SCHEMBL27149953 0.85 RAB9A (0.54) NPC1RAB9AMAPTMMP13SMN1; SMN2
SCHEMBL17168924 0.84 MAPK1 (0.64) NPC1RAB9ASMN1; SMN2MAPK1LMNA
SCHEMBL6988284 0.84 HDAC6 (0.47) NPC1RAB9AMAPTMMP13SMN1; SMN2
SCHEMBL7260803 0.82 RAB9A (0.67) NPC1RAB9AMAPTMMP13SMN1; SMN2
SCHEMBL4875670 0.81 SMN1; SMN2 (0.69) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL10918829 0.80 HDAC1 (0.60) NPC1RAB9AMAPTMMP13SMN1; SMN2
SCHEMBL7145374 0.79 ABCB1 (0.54) NPC1RAB9AMAPTMMP13SMN1; SMN2
SCHEMBL10317838 0.79 RAB9A (0.50) NPC1RAB9AMAPTMMP13SMN1; SMN2

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
EP-1966157-B1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2010-03-24 EP disclosed
US-7595406-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES INC. (US) 2009-09-29 US disclosed
US-7462724-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES (US) 2008-12-09 US disclosed
EP-1966157-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-09-10 EP disclosed
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-11-22 US disclosed
WO-2007059230-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-05-24 WO disclosed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 US disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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 (3 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-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 NPC1 2232/4885RAB9A 3905/4885MAPT 2947/4885
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD NPC1 2548/4885RAB9A 4731/4885MAPT 4676/4885
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 NPC1 2232/4885RAB9A 3905/4885MAPT 2947/4885

“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.