SCHEMBL671603

SCHEMBL671603

O=Cc1c(Br)ccc(C(F)(F)F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.35
P2RX7 Q99572 1/20 0.35
KIF11 P52732 1/20 0.34
EPAS1 Q99814 1/20 0.34
CTSS P25774 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33
CTSK P43235 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
HTT P42858 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CLCN2 P51788 1/20 0.31

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
SCHEMBL8401545 0.85 KIF11 (0.34) ERN1P2RX7KIF11EPAS1CTSS
SCHEMBL9344684 0.81 ALDH1A1 (0.45) P2RX7KIF11CTSSMEN1KMT2A
SCHEMBL1015538 0.79 KIF11 (0.39) ERN1KIF11CTSSMEN1KMT2A
SCHEMBL8401425 0.77 KIF11 (0.36) ERN1KIF11MEN1KMT2ANOTUM
SCHEMBL2952070 0.76 KIF11 (0.39) ERN1KIF11MEN1KMT2ANOTUM
SCHEMBL17981542 0.75 ERN1 (0.38) ERN1EPAS1MEN1KMT2AALDH1A1
SCHEMBL8404988 0.74 ALDH1A1 (0.38) KIF11EPAS1MEN1KMT2AALDH1A1
SCHEMBL30660275 0.74 TDP1 (0.44) ERN1MEN1KMT2AALDH1A1TDP1
SCHEMBL7927635 0.73 ALDH1A1 (0.40) KIF11CTSSMEN1KMT2AALDH1A1
SCHEMBL30361071 0.73 CA1 (0.43) ERN1P2RX7MEN1KMT2AALDH1A1

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 7 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
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
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 ERN1 3500/4885P2RX7 948/4885KIF11 4226/4885

“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.