SCHEMBL2180100

SCHEMBL2180100

CC(=O)c1c(OCCn2ccnc2)c(OCCC(C)c2ccc(F)cc2)c2oc(C)nc2c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.38
CYP19A1 P11511 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
TBXAS1 P24557 5/20 0.36
ACACB O00763 1/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL1542528 0.89 LMNA (0.41) LMNASMN1; SMN2ALDH1A1CYP19A1ALOX15
SCHEMBL2179188 0.88 LMNA (0.43) LMNASMN1; SMN2ALDH1A1CYP19A1ALOX15
SCHEMBL2178695 0.87 NAMPT (0.34) SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL2178824 0.84 KCNA3 (0.32)
SCHEMBL12409102 0.84 METAP2 (0.33)
SCHEMBL12409106 0.84 SLC6A2 (0.36) ALDH1A1
SCHEMBL2178490 0.84 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1ACACBKMT2AHTT
SCHEMBL2178974 0.84 KCNA3 (0.37)
SCHEMBL2179602 0.84 DRD2 (0.37) LMNA
SCHEMBL2179289 0.83 MEN1 (0.39) ALDH1A1KDM4EACACBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-8507539-B2 Potassium channel blockers and uses thereof BIONOMICS LIMITED (AU) 2013-08-13 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
US-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2011-07-07 US disclosed
WO-2009149508-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF BIONOMICS LIMITED (AU) 2009-12-17 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 (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-20110166130-A1 NOVEL POTASSIUM CHANNEL BLOCKERS AND USES THEREOF KCNA3, KCNB1, KCNK3 LMNA 2249/4885SMN1; SMN2 3154/4885ALDH1A1 4002/4885

“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.