SCHEMBL1228633

SCHEMBL1228633

CC1(COc2ccc(OCc3ccccc3)cc2)CO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.51
PTGS2 P35354 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 4/20 0.51
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP2 P08253 1/20 0.48
MMP13 P45452 1/20 0.48
BCHE P06276 1/20 0.47
NR4A1 P22736 1/20 0.46

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
SCHEMBL1227815 0.89 MAOB (0.48) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL31349 0.89 CA12 (0.52) MAOBRAB9ASMN1; SMN2MMP2MMP13
SCHEMBL9479164 0.89 SRD5A2 (0.62) MAOBRAB9ASMN1; SMN2GAAMAPT
SCHEMBL667989 0.86 KCNA3 (0.41) LMNAALDH1A1
SCHEMBL19091769 0.86 KCNA3 (0.41) LMNAALDH1A1
SCHEMBL21197730 0.82 KMT2A (0.54) LMNASLC6A2SLC6A3HIF1AMAOB
SCHEMBL1144646 0.82 CA12 (0.45) LMNAMAOBMAOAHTR2BTMEM97
SCHEMBL6736842 0.81 GSTP1 (0.47) MAOBRAB9ASMN1; SMN2MAOANPC1
SCHEMBL1351516 0.81 LMNA (0.51) PTGS1PTGS2LMNACYP1A2SLC6A2
SCHEMBL8758260 0.81 LMNA (0.51) PTGS1PTGS2LMNACYP1A2SLC6A2

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-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.