SCHEMBL1077995

SCHEMBL1077995

COC(=O)c1c(NC(=O)Cc2ccccc2)sc(Cl)c1C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.77
ALDH1A1 P00352 4/20 0.55
HTT P42858 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
HK1 P19367 1/20 0.55
HKDC1 Q2TB90 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPK10 P53779 3/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
PKM P14618 1/20 0.53
HPGD P15428 2/20 0.53
MAPK8 P45983 2/20 0.52
MAPK9 P45984 2/20 0.52
NPC1 O15118 2/20 0.52

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
SCHEMBL1077039 0.82 MAPT (0.54) MAPTALDH1A1L3MBTL1KDM4EMAPK10
SCHEMBL9052070 0.81 MAPT (0.54) MAPTALDH1A1HTTCYP1A2CYP3A4
SCHEMBL1040586 0.77 MAPK8 (0.77) MAPTALDH1A1HTTCYP1A2CYP3A4
SCHEMBL23413554 0.76 MAPT (0.59) MAPTALDH1A1HTTCYP1A2CYP3A4
SCHEMBL11467089 0.74 MAPT (0.63) MAPTALDH1A1HTTCYP1A2CYP3A4
SCHEMBL23413572 0.72 NPC1 (0.76) MAPTCYP1A2CYP3A4CYP2C19KDM4E
SCHEMBL8784213 0.72 POLB (0.55) MAPTALDH1A1HTTL3MBTL1MAPK10
SCHEMBL8783999 0.72 POLB (0.55) MAPTALDH1A1L3MBTL1KDM4EMAPK10
SCHEMBL1887886 0.69 RAB9A (0.56) MAPTALDH1A1HTTCYP1A2CYP3A4
SCHEMBL27734419 0.69 HPGD (0.54) MAPTALDH1A1HTTCYP1A2CYP3A4

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 MAPT 2498/4885ALDH1A1 1575/4885HTT 2501/4885

“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.