SCHEMBL5536909

SCHEMBL5536909

C[C@]1(CN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CO1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 1/20 0.55
SLC13A5 Q86YT5 1/20 0.53
EPHX2 P34913 1/20 0.52
POLB P06746 1/20 0.51
ACKR3 P25106 1/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
CCR5 P51681 1/20 0.49

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
SCHEMBL5536905 1.00 ALDH1A1 (0.55) ALDH1A1KMT2ASLC13A5EPHX2POLB
SCHEMBL5539573 0.84 L3MBTL1 (0.56) EPHX2POLB
SCHEMBL5539567 0.84 L3MBTL1 (0.56) EPHX2POLB
SCHEMBL13745754 0.79 ALDH1A1 (0.62) ALDH1A1KMT2ASLC13A5EPHX2POLB
SCHEMBL7486412 0.77 ALDH1A1 (0.58) ALDH1A1KMT2ASLC13A5EPHX2POLB
SCHEMBL11296859 0.77 MAPT (0.68) ALDH1A1KMT2ASLC13A5POLB
SCHEMBL14420046 0.73 HDAC6 (0.67) ALDH1A1KMT2ASLC13A5
SCHEMBL5536304 0.72 CARM1 (0.58) CCR5
SCHEMBL171943 0.72 STS (0.64) ALDH1A1KMT2ASLC13A5EPHX2CA12
SCHEMBL13720036 0.71 MEN1 (0.77) ALDH1A1KMT2AEPHX2POLBCA12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 355/4885KMT2A 4267/4885SLC13A5 2222/4885

“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.