SCHEMBL5534532

SCHEMBL5534532

COc1cc(OC)c(CN[CH]c2ccccc2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
CYP1A1 P04798 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP1B1 Q16678 2/20 0.45
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
DHFR P00374 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5542256 0.85 HIF1A (0.46) CYP1A1CYP1A2CYP1B1MAPTKMT2A
SCHEMBL5543280 0.82 APLNR (0.59) CYP1A1CYP1A2CYP1B1MAPTKMT2A
SCHEMBL5537026 0.81 TACR1 (0.47) MAPTKMT2ATP53CYP3A4HSD17B10
SCHEMBL5540592 0.79 MEN1 (0.53) CYP1A1CYP1A2CYP1B1MAPTKMT2A
SCHEMBL5545752 0.76 ALDH1A1 (0.54) MAPTKMT2ATP53CYP3A4ATM
SCHEMBL5544473 0.76 RAB9A (0.57) KMT2AATMMEN1KDM4EUSP2
SCHEMBL5515739 0.76 HIF1A (0.56) PTPN1MAPTKDM4EALDH1A1DHFR
SCHEMBL5537826 0.75 ALDH1A1 (0.52) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1235146 0.75 PTPN1 (0.48) PTPN1CYP1A2KMT2ACYP3A4MEN1
SCHEMBL5544421 0.72 MEN1 (0.54) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1913016-B1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 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 PTPN1 1427/4885CYP1A1 1394/4885CYP1A2 659/4885

“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.