SCHEMBL5541841

SCHEMBL5541841

O=C1[N]CCN1Cc1cccc(Cl)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
CYP2A13 Q16696 2/20 0.48
PNMT P11086 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIK3CD O00329 3/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 2/20 0.40
PIK3CA P42336 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5542558 0.88 CYP1A2 (0.52) P2RX7KDM4EALDH1A1POLBCYP2A13
SCHEMBL5541638 0.75 CYP2A13 (0.45) KDM4EALDH1A1CYP2A13
SCHEMBL5537404 0.75 ALDH1A1 (0.56) P2RX7KDM4EALDH1A1POLBCYP2A13
SCHEMBL11871546 0.74 POLB (0.59) P2RX7KDM4EALDH1A1POLBCYP2A13
SCHEMBL5251526 0.74 DDB1 (0.49) ALDH1A1POLBCYP2D6CYP2C19MEN1
SCHEMBL5539504 0.73 MAPT (0.60) P2RX7KDM4EALDH1A1CYP2C19MEN1
SCHEMBL5543146 0.72 ERCC1 (0.46) P2RX7KDM4EALDH1A1
SCHEMBL5536939 0.72 MEN1 (0.48) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2094238 0.71 KDM4E (0.70) KDM4EALDH1A1POLBCYP2A13PNMT
SCHEMBL5537759 0.71 POLB (0.49) ALDH1A1POLBCYP1A2CYP3A4CYP2D6

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 P2RX7 3548/4885KDM4E 4854/4885ALDH1A1 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.