SCHEMBL3341689

SCHEMBL3341689

CCCCCNc1nc[nH]c1C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 6/20 0.47
XDH P47989 4/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL562980 0.82 XDH (0.67) KDM4ELMNASMN1; SMN2ALDH1A1XDH
SCHEMBL22761420 0.79 KDM4E (0.63) KDM4ELMNASMN1; SMN2ALDH1A1XDH
SCHEMBL1713191 0.76 XDH (0.49) LMNASMN1; SMN2XDH
SCHEMBL21530644 0.74 TSHR (0.46) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1713207 0.74 CYP1A2 (0.43) LMNASMN1; SMN2XDHHSD17B10
SCHEMBL11502949 0.73 LMNA (0.44) KDM4ELMNASMN1; SMN2ALDH1A1MAPK1
SCHEMBL1186099 0.73 KDM4E (0.68) KDM4ELMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9669758 0.73 XDH (0.50) LMNASMN1; SMN2XDHTSHR
SCHEMBL31590423 0.71 KDM4E (0.66) KDM4ELMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL1417913 0.71 KDM4E (0.81) KDM4ELMNASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718686-B2 Imidazole variants as modulators of GABA receptor for the treatment of GI disorders ASTRAZENECA AB (SE) 2010-05-18 US disclosed
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders ASTRAZENECA AB (SE) 2008-10-30 US disclosed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US disclosed
EP-1761531-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001750-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS ASTRAZENECA AB (SE) 2006-01-05 WO 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 (2 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 KDM4E 2374/4885LMNA 4354/4885SMN1; SMN2 919/4885
US-20080269216-A1 Imidazole Variants as Modulators of Gaba Receptor For the Treatment of Gi Disorders GABRB1, GABBR2, GABBR1 KDM4E 2917/4885LMNA 4323/4885SMN1; SMN2 1857/4885

“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.