SCHEMBL671598

SCHEMBL671598

Cn1cc(C=O)c2c(-c3ccc(F)cc3)cccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
IMPDH2 P12268 1/20 0.46
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 2/20 0.36
PTGER3 P43115 1/20 0.35
ALK Q9UM73 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
LCK P06239 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 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
SCHEMBL3221124 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EIMPDH2PIK3CAMTOR
SCHEMBL1429471 0.83 ALDH1A1 (0.51) ALDH1A1IMPDH2PIK3CAMTORHTT
SCHEMBL672431 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EHTTSMN1; SMN2POLB
SCHEMBL1431899 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EIMPDH2PIK3CAMTOR
SCHEMBL672731 0.79 ALDH1A1 (0.37) ALDH1A1HTTSMN1; SMN2POLBALK
SCHEMBL1093446 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EIMPDH2HTTSMN1; SMN2
SCHEMBL671892 0.76 SMN1; SMN2 (0.41) ALDH1A1KDM4EHTTSMN1; SMN2POLB
SCHEMBL1093309 0.73 ALDH1A1 (0.56) ALDH1A1KDM4EIMPDH2HTTSMN1; SMN2
SCHEMBL1093104 0.73 ALDH1A1 (0.51) ALDH1A1KDM4EIMPDH2POLBPTGER3
SCHEMBL1429258 0.72 ALDH1A1 (0.54) ALDH1A1KDM4EIMPDH2HTTSMN1; SMN2

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 5 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
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 4514/4885IMPDH2 2266/4885

“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.