SCHEMBL1077040

SCHEMBL1077040

Cc1c(Cl)sc(N(C)C(=O)Cc2ccccn2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ PTPRA P18433 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GRM6 O15303 1/20 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
SCHEMBL1077996 0.83 CA12 (0.41) RAB9ANPC1KMT2APOLBCA12
SCHEMBL3413928 0.70 RAB9A (0.50) RAB9ANPC1KMT2AHIF1APOLB
SCHEMBL1077039 0.67 MAPT (0.54) RAB9ANPC1KMT2APOLBKDM4E
SCHEMBL10575100 0.66 CYP1A2 (0.47) RAB9ANPC1POLBPTPRATDP1
SCHEMBL10573252 0.66 NPC1 (0.58) RAB9ANPC1KMT2APOLBKDM4E
SCHEMBL10578156 0.64 TRPM8 (0.57) RAB9ANPC1HIF1APTPRAALDH1A1
SCHEMBL21298 0.63 PTPRA (0.56) RAB9ANPC1GAAKMT2APOLB
SCHEMBL29676689 0.63 PTPRA (0.56) RAB9ANPC1GAAKMT2APOLB
Benzene SCHEMBL11747977 0.63 PTPRA (0.56) RAB9ANPC1GAAKMT2APOLB
Chloroform SCHEMBL11654992 0.63 PTPRA (0.53) RAB9ANPC1POLBPTPRAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 — — EP disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 — — US disclosed
EP-1915150-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Merck Patent GmbH (DE) 2008-04-30 — — EP disclosed
WO-2007019914-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2007-02-22 — — WO disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 — — EP disclosed
US-5602144-A ADMINISTERING FOR TREATMENT OF CEREBRAL ISCHAEMIA OR SCHIZOPHRENIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 — — 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 (1 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-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PRKAR2A, PRKAR2B, PRKAB1 RAB9A 932/4885NPC1 3732/4885GAA 2119/4885

“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.

Send feedback