SCHEMBL5540586

SCHEMBL5540586

Clc1cccc(CN[CH]c2ccccc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
CYP1A2 P05177 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
IDO1 P14902 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
CXCR4 P61073 1/20 0.39
DBH P09172 1/20 0.39
P2RX7 Q99572 1/20 0.38
CYP2A13 Q16696 1/20 0.38

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
SCHEMBL5545076 0.86 ALDH1A1 (0.34) GRIN1GRIN2BCYP1A2GLACYP3A4
SCHEMBL5545208 0.82 HTT (0.42) CYP1A2GLACYP2D6CYP2C19SMN1; SMN2
SCHEMBL5541285 0.77 PNMT (0.50) PNMTCYP1A2GLACYP3A4CYP2D6
SCHEMBL5544243 0.75 ALDH1A1 (0.55) CYP1A2GLACYP3A4CYP2D6CYP2C9
SCHEMBL5541813 0.73 KMT2A (0.46) TAAR1KDM4EALDH1A1
SCHEMBL5543788 0.73 LMNA (0.47) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5539678 0.73 KDM1A (0.42) CYP1A2CYP2D6CYP2C19TAAR1IDO1
SCHEMBL5536074 0.73 KDM1A (0.42) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5544342 0.72 NFE2L2 (0.39) TAAR1P2RX7
SCHEMBL5544369 0.72 GAA (0.41) KDM4EALDH1A1P2RX7

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 PNMT 4701/4885GRIN1 289/4885GRIN2B 504/4885

“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.