SCHEMBL5536078

SCHEMBL5536078

[CH2]CCCCc1ccn(-c2ccc(Cl)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
NOTUM Q6P988 5/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PKM P14618 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL5548440 0.95 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL27610728 0.84 MIF (0.44) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL294640 0.82 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4NOTUMPDE10A
SCHEMBL28059051 0.79 ALDH1A1 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL5542024 0.78 GABRA2 (0.34) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL21611997 0.76 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4NOTUMKDM4E
SCHEMBL16322113 0.76 NOTUM (0.59) ALDH1A1CYP1A2CYP3A4NOTUMKDM4E
SCHEMBL11129458 0.75 ALDH1A1 (0.40) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL22111911 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP3A4NOTUMPDE10A
SCHEMBL14438049 0.75 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4NOTUMKDM4E

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 HDAC3 108/4885HDAC1 322/4885HDAC2 502/4885

“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.