SCHEMBL2296825

SCHEMBL2296825

COC(=O)c1ccc(C2OCCO2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CPS1 P31327 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AR P10275 1/20 0.38
ATM Q13315 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
PKM P14618 1/20 0.37
GAA P10253 2/20 0.36

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
SCHEMBL3159626 0.94 NPC1 (0.43) NPC1RAB9ASMN1; SMN2CPS1SLC6A2
SCHEMBL20529338 0.82 NPC1 (0.47) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL28594806 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2CA12CA1
SCHEMBL2297634 0.81 L3MBTL1 (0.38) NPC1
SCHEMBL25953850 0.80 SLC6A3 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL15778750 0.80 SLC6A3 (0.44) SLC6A4CA12CA1CA2CA7
SCHEMBL13544329 0.78 ACMSD (0.45) SMN1; SMN2CA12CA1CA2CA7
SCHEMBL3903392 0.77 ACMSD (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27195828 0.76 QDPR (0.50) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL3159281 0.76 PRKAG1 (0.41) NPC1RAB9AATMHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999117-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBVIE INC. 2011-08-16 US disclosed
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-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
US-7462724-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES (US) 2008-12-09 US disclosed
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-11-22 US disclosed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 US disclosed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 US 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-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 NPC1 3122/4885RAB9A 4142/4885SMN1; SMN2 2237/4885
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 NPC1 2232/4885RAB9A 3905/4885SMN1; SMN2 1999/4885
US-20090186877-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 NPC1 3122/4885RAB9A 4142/4885SMN1; SMN2 2237/4885
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 NPC1 2232/4885RAB9A 3905/4885SMN1; SMN2 1999/4885

“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.