SCHEMBL672433

SCHEMBL672433

Cc1cc(Br)cc2c(C=O)cn(C(C)C)c12

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP2A6 P11509 2/20 0.35
PTPN1 P18031 2/20 0.33
ERN1 O75460 4/20 0.33
PDE4B Q07343 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
IMPDH2 P12268 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL2599740 0.83 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2PTPN1ERN1KDM4E
SCHEMBL671605 0.79 PDE4B (0.46) ALDH1A1SMN1; SMN2CYP2A6PTPN1ERN1
SCHEMBL2599851 0.78 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL670294 0.76 CYP2A6 (0.41) ALDH1A1SMN1; SMN2CYP2A6PTPN1ERN1
SCHEMBL2599821 0.75 TRIM24 (0.42) ALDH1A1SMN1; SMN2CYP2A6KDM4EMEN1
SCHEMBL2599810 0.71 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CYP2A6KDM4EMEN1
SCHEMBL2599736 0.71 ERN1 (0.40) ALDH1A1SMN1; SMN2PTPN1ERN1KDM4E
SCHEMBL23497546 0.70 PTPN1 (0.41) ALDH1A1SMN1; SMN2CYP2A6PTPN1ERN1
SCHEMBL29744434 0.70 PTPN1 (0.41) ALDH1A1SMN1; SMN2CYP2A6PTPN1ERN1
SCHEMBL22938833 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2ERN1KDM4EKMT2A

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 8 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
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
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 ALDH1A1 1467/4885SMN1; SMN2 3345/4885CYP2A6 1930/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 ALDH1A1 1103/4885SMN1; SMN2 2690/4885CYP2A6 2727/4885

“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.