SCHEMBL5196243

SCHEMBL5196243

COC(=O)c1sc(-c2cccnc2)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
MAPT P10636 8/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 3/20 0.61
IKBKB O14920 3/20 0.61
CASP3 P42574 2/20 0.61
SENP8 Q96LD8 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
SENP6 Q9GZR1 2/20 0.61
ALDH1A1 P00352 7/20 0.53
HPGD P15428 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HSD17B10 Q99714 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CFTR P13569 1/20 0.52
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP19A1 P11511 1/20 0.49

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
SCHEMBL613186 0.85 MAPT (0.70) KDM4EMAPTNPC1RAB9AIKBKB
SCHEMBL431794 0.84 MAPT (0.74) KDM4EMAPTNPC1RAB9AIKBKB
SCHEMBL5652096 0.84 CYP19A1 (0.49) KDM4EMAPTIKBKBALDH1A1HPGD
SCHEMBL6611007 0.83 CDC7 (0.70) KDM4EMAPTIKBKBALDH1A1MEN1
Hydrochloric Acid SCHEMBL8864118 0.83 MAPT (0.72) KDM4EMAPTNPC1RAB9AIKBKB
SCHEMBL5192468 0.83 CYP3A4 (0.56) KDM4EMAPTNPC1RAB9AIKBKB
SCHEMBL4081426 0.80 MAPT (0.67) KDM4EMAPTNPC1RAB9AIKBKB
SCHEMBL882692 0.79 POLB (0.58) MEN1KMT2ASMN1; SMN2
SCHEMBL10070140 0.79 MAPT (0.78) KDM4EMAPTNPC1RAB9AIKBKB
SCHEMBL1405912 0.78 IKBKB (0.78) KDM4EMAPTNPC1RAB9AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101098852-A Glycogen phosphorylase inhibitor compounds and pharmaceutical compositions thereof SMITHKLINE BEECHAM CORP (US) 2008-01-02 CN disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 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 (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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 KDM4E 1970/4885MAPT 1171/4885NPC1 1701/4885

“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.