SCHEMBL670294

SCHEMBL670294

CC(C)n1cc(C=O)c2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.41
ALDH1A1 P00352 7/20 0.40
IMPDH2 P12268 1/20 0.39
ERN1 O75460 2/20 0.39
PDE4B Q07343 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.35
USP2 O75604 1/20 0.35
RAB9A P51151 1/20 0.35
PTPN1 P18031 1/20 0.35
PIM3 Q86V86 2/20 0.35
PIM1 P11309 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL23497546 0.90 PTPN1 (0.41) CYP2A6ALDH1A1ERN1PDE4BMEN1
SCHEMBL29744434 0.90 PTPN1 (0.41) CYP2A6ALDH1A1ERN1PDE4BMEN1
SCHEMBL671605 0.88 PDE4B (0.46) CYP2A6ALDH1A1IMPDH2ERN1PDE4B
SCHEMBL28629784 0.83 CYP2A6 (0.35) CYP2A6ALDH1A1IMPDH2ERN1KMT2A
SCHEMBL27611107 0.81 PDE4B (0.36) ALDH1A1PDE4BMEN1KMT2AMITF
SCHEMBL670809 0.79 ALDH1A1 (0.67) ALDH1A1IMPDH2ERN1PDE4BKDM4E
SCHEMBL16502064 0.79 ALDH1A1 (0.62) CYP2A6ALDH1A1IMPDH2ERN1KDM4E
SCHEMBL24143350 0.78 CYP2A6 (0.41) CYP2A6ALDH1A1IMPDH2ERN1KMT2A
SCHEMBL16727194 0.77 PDE4B (0.41) ALDH1A1PDE4BLMNAMAPTCYP19A1
SCHEMBL1871346 0.77 ALDH1A1 (0.61) ALDH1A1IMPDH2MEN1KMT2AKDM4E

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 CYP2A6 1930/4885ALDH1A1 1467/4885IMPDH2 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.