SCHEMBL673658

SCHEMBL673658

O=Cc1cnn(-c2ccccc2)c1-c1cc(F)c(F)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.42
SSTR5 P35346 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
S1PR1 P21453 3/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 4/20 0.36
MAPK14 Q16539 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
GRM2 Q14416 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
PAX8 Q06710 2/20 0.34
MITF O75030 1/20 0.34
S1PR4 O95977 1/20 0.34
THRB P10828 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
SCHEMBL5808272 0.79 LMNA (0.44) HIF1APTGS1PTGS2LMNANPSR1
SCHEMBL5730469 0.78 PTGS2 (0.45) HIF1APTGS1PTGS2LMNANPSR1
SCHEMBL486113 0.72 ERN1 (0.33)
SCHEMBL14957025 0.70 ALDH1A1 (0.69) LMNANPSR1ALDH1A1HTTMAPT
SCHEMBL3321144 0.69 RAB9A (0.49) HIF1APTGS2LMNANPSR1S1PR1
SCHEMBL1566534 0.69 MAPK1 (0.54) PTGS2LMNAALDH1A1MAPTNPC1
SCHEMBL2649068 0.69 RAB9A (0.54) ALDH1A1MAPTMAPK14NPC1RAB9A
SCHEMBL13407215 0.69 NR4A3 (0.44) HIF1APTGS2LMNANPSR1S1PR1
SCHEMBL28600941 0.69 HIF1A (0.41) HIF1APTGS2LMNANPSR1S1PR1
SCHEMBL4039361 0.69 MAPT (0.59) LMNANPSR1S1PR1ALDH1A1HTT

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 9 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
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

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 HIF1A 1026/4885SSTR5 1/4885PTGS1 3116/4885

“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.