SCHEMBL672970

SCHEMBL672970

Cc1cc(Cl)cc2c(C=O)c[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.56
TRIM33 Q9UPN9 1/20 0.56
PIM3 Q86V86 6/20 0.43
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
ERN1 O75460 3/20 0.37
CYP2A6 P11509 2/20 0.37
IMPDH2 P12268 1/20 0.37
PIM1 P11309 4/20 0.36
PIM2 Q9P1W9 1/20 0.36
RXFP3 Q9NSD7 2/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MPI P34949 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL671157 0.82 ERN1 (0.44) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL16067289 0.82 TRIM24 (0.59) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL29955987 0.81 ERN1 (0.47) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL671315 0.79 TRIM24 (0.56) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL674053 0.79 TRIM24 (0.56) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL13961179 0.79 TRIM24 (0.40) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL2425476 0.79 ERN1 (0.47) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL29953877 0.79 AR (0.43) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL29957614 0.79 ERN1 (0.51) TRIM24TRIM33PIM3ALDH1A1KDM4E
SCHEMBL9732966 0.77 ALDH1A1 (0.56) TRIM24TRIM33ALDH1A1KDM4EMAPT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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
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
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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 (2 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 TRIM24 4041/4885TRIM33 4655/4885PIM3 4212/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 TRIM24 4468/4885TRIM33 4709/4885PIM3 3857/4885

“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.