SCHEMBL973649

SCHEMBL973649

CCOC(=O)Cc1n[c]sc1-n1ccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
TBXAS1 P24557 3/20 0.41
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADH5 P11766 2/20 0.36
ABL1 P00519 1/20 0.35

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
SCHEMBL972466 0.72 SMN1; SMN2 (0.40) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7404987 0.70 MAPT (0.63) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL972832 0.70 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL970871 0.70 CA12 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL3562683 0.69 MEN1 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8613860 0.67 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1065933 0.66 SMN1; SMN2 (0.36) ALDH1A1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL4071088 0.64 HSD17B10 (0.56) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL4081415 0.63 L3MBTL1 (0.58) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL5089219 0.63 HTT (0.60) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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 (5 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885MAPT 3715/4885KDM4E 2655/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885MAPT 4151/4885KDM4E 1156/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885MAPT 3715/4885KDM4E 2655/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885MAPT 3782/4885KDM4E 2578/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885MAPT 3832/4885KDM4E 2999/4885

“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.