SCHEMBL670809

SCHEMBL670809

COc1ccc2c(C=O)cn(C(C)C)c2c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HTR6 P50406 1/20 0.44
ERN1 O75460 1/20 0.44
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
PTGER4 P35408 1/20 0.39
BCHE P06276 1/20 0.38
GAA P10253 1/20 0.37
IMPDH2 P12268 1/20 0.37

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
SCHEMBL1787498 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EHTR6ERN1TRIM24
SCHEMBL1093559 0.80 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTERN1TRIM24
SCHEMBL670294 0.79 CYP2A6 (0.41) ALDH1A1KDM4EMAPTERN1LMNA
SCHEMBL981876 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EMAPTHTR6ERN1
SCHEMBL14832185 0.75 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTERN1TRIM24
SCHEMBL2643501 0.75 KDM4E (0.48) ALDH1A1KDM4EHTR6POLBL3MBTL1
SCHEMBL1871346 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTPOLBLMNA
SCHEMBL14957037 0.74 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTHTR6ERN1
SCHEMBL5350714 0.72 ALDH1A1 (0.60) ALDH1A1KDM4EHTR6
SCHEMBL15970936 0.72 MEN1 (0.44) ALDH1A1KDM4EMAPTERN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 ALDH1A1 1467/4885KDM4E 4514/4885MAPT 4043/4885

“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.