SCHEMBL670896

SCHEMBL670896

C=C(C)COc1c(C)cc(Br)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 3/20 0.37
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ATM Q13315 1/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
AKR1B1 P15121 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL9181295 0.89 HSD17B10 (0.38) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL6577931 0.80 KDM4E (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL15709517 0.79 PTGDR2 (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL8106919 0.79 GABRA1 (0.42) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL13964533 0.74 LMNA (0.43) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL19381521 0.73 MAPT (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL3190087 0.73 MEN1 (0.59) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL9332599 0.72 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2POLBALDH1A1
SCHEMBL31202597 0.72 AKR1B1 (0.37) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL10872343 0.71 KDM4E (0.39) MEN1KMT2ASMN1; SMN2POLBALDH1A1

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 12 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
US-6093838-A FOR TREATING SKIN-RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, ECZEMA ALLERGAN SALES, INC. (US) 2000-07-25 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 (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 MEN1 1098/4885KMT2A 3514/4885SMN1; SMN2 3345/4885

“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.