SCHEMBL5544582

SCHEMBL5544582

Cc1ccccc1/C=C1\C[N]CS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.41
NAT1 P18440 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 5/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.35
RAB9A P51151 3/20 0.34
TP53 P04637 2/20 0.34
CYP2D6 P10635 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL5544584 1.00 TTR (0.41) TTRNAT1ALDH1A1TSHRKDM4E
SCHEMBL5542423 0.74 CYP1A2 (0.35) NAT1ALDH1A1TSHRCYP1A2MAPT
SCHEMBL5542422 0.74 CYP1A2 (0.35) NAT1ALDH1A1TSHRCYP1A2MAPT
SCHEMBL7136987 0.70 RAB9A (0.44) TTRNAT1ALDH1A1TSHRKDM4E
SCHEMBL5537538 0.70 NPSR1 (0.30)
SCHEMBL17684043 0.62 TSHR (0.46) TTRNAT1ALDH1A1TSHRKDM4E
SCHEMBL12751382 0.62 HTR2C (0.47) TTRNAT1ALDH1A1TSHRKDM4E
SCHEMBL7224974 0.61 TSHR (0.50) TTRALDH1A1TSHRKDM4ECYP1A2
SCHEMBL1589395 0.60 ALDH1A1 (0.62) ALDH1A1TSHRKDM4ECYP1A2CYP2C19
SCHEMBL2037821 0.60 ALDH1A1 (0.62) TTRALDH1A1TSHRKDM4ETDP1

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-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 TTR 3990/4885NAT1 739/4885ALDH1A1 355/4885

“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.