SCHEMBL5535117

SCHEMBL5535117

Clc1cc(Cl)cc(CN[CH]c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
TACR1 P25103 3/20 0.43
GRIN1 Q05586 3/20 0.43
GRIN2B Q13224 3/20 0.43
ACLY P53396 2/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
EGFR P00533 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5539358 0.86 CHRM2 (0.49) GRIN1GRIN2BALDH1A1LMNAHPGD
SCHEMBL5539505 0.83 LMNA (0.50) KDM1AADH1BADH1CADH1AADH7
SCHEMBL5544059 0.81 ALDH1A1 (0.38) KDM1AGRIN1GRIN2BEGFRALDH1A1
SCHEMBL7385255 0.80 ADH1B (0.58) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL5544373 0.79 PLA2G1B (0.47) ALDH1A1LMNAMEN1POLBKMT2A
SCHEMBL5544036 0.78 TACR1 (0.39) TACR1ADH1BADH1CADH1AADH7
SCHEMBL5540801 0.78 CCNE2 (0.38) KDM1AADH1BADH1CADH1AADH7
SCHEMBL5534775 0.76 EGFR (0.40) KDM1AADH1BADH1CADH1AADH7
SCHEMBL5535940 0.75 KDM1A (0.47) KDM1AGRIN1GRIN2BADH1BADH1C
SCHEMBL5541612 0.75 KDM1A (0.47) KDM1AADH1BADH1CADH1AADH7

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 KDM1A 4622/4885TACR1 1465/4885GRIN1 289/4885

“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.