SCHEMBL1229367

SCHEMBL1229367

C=C(C)COc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.61
PTGS2 P35354 2/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAOB P27338 4/20 0.60
GPR174 Q9BXC1 1/20 0.56
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
PLA2G4B P0C869 1/20 0.55
EGFR P00533 2/20 0.55
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
MAOA P21397 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL1228881 0.88 PTGS1 (0.56) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL9189031 0.88 CA12 (0.56) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL7141666 0.86 GPR174 (0.56) LMNACYP1A2CYP2C19MAOBGPR174
SCHEMBL15761342 0.85 GPR174 (0.52) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL1486040 0.85 GPR174 (0.62) LMNAMAOBGPR174MAPTMAOA
SCHEMBL2020142 0.83 GPR174 (0.60) LMNAMAOBGPR174MAPTMAOA
SCHEMBL10338925 0.82 GPR174 (0.58) LMNAGPR174MAPTSMN1; SMN2L3MBTL1
SCHEMBL4602806 0.82 MAOB (0.70) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL20425306 0.82 MAOB (0.70) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL21546008 0.82 KMT2A (0.59) LMNASLC6A2SLC6A3MAOBGPR174

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153562-B Spiro-oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC 2015-05-13 CN disclosed
EP-2459570-B1 NITROIMIDAZOOXAZINE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEV (US) 2014-12-24 EP disclosed
US-8293734-B2 Nitroimidazooxazine and nitroimidazooxazole analogues and their uses GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2012-10-23 US disclosed
EP-2459570-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES Global Alliance For Tb Drug Development (US) 2012-06-06 EP disclosed
WO-2011014776-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 WO disclosed
US-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT (US) 2011-02-03 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-20110028466-A1 NITROIMIDAZOOXAZINE AND NITROIMIDAZOOXAZOLE ANALOGUES AND THEIR USES NOX5, NQO2, SIRT5 PTGS1 2481/4885PTGS2 1990/4885LMNA 1996/4885

“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.