SCHEMBL5542434

SCHEMBL5542434

Cc1cc(O)cc2c1OCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
MAOA P21397 1/20 0.41
TBXA2R P21731 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
AKT1 P31749 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
PARP1 P09874 2/20 0.39
LMNA P02545 1/20 0.38
NR1I2 O75469 2/20 0.37
CYP19A1 P11511 1/20 0.35
ALOX5 P09917 4/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL3889397 0.89 AKT1 (0.40) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8006965 0.80 HTR3A (0.37) PARP1PTGS1PTGS2
SCHEMBL8011587 0.79 PARP1 (0.37) PARP1PTGS1PTGS2
SCHEMBL6342164 0.76 MAPT (0.36) PARP1PTGS1PTGS2
SCHEMBL7484709 0.76 PARP1 (0.39) PARP1PTGS1PTGS2
SCHEMBL24750128 0.76 AKT1 (0.40) MAOAAKT1ESR1ESR2PARP1
SCHEMBL5542428 0.76 PARP1 (0.39) PARP1PTGS1PTGS2
SCHEMBL3643840 0.76 PARP1 (0.46) MAOAAKT1PARP1
SCHEMBL8466298 0.76 PARP1 (0.39) PARP1PTGS1PTGS2
SCHEMBL14189080 0.76 PARP1 (0.54) PARP1PTGS1PTGS2

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
EP-2238140-B1 SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES SANOFI SA (FR) 2013-07-17 EP disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 CYP3A4 1683/4885CHRM1 463/4885ALOX15 2847/4885

“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.