SCHEMBL885899

SCHEMBL885899

CC(C)(C)Cc1nc(C(Cc2cccnc2N2CCCCC2)c2cccnc2)no1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNA5 P22460 13/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
KCNH2 Q12809 5/20 0.34
HRH3 Q9Y5N1 1/20 0.34
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SRC P12931 1/20 0.32
KCNN4 O15554 1/20 0.31
SCN2A Q99250 1/20 0.31

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
SCHEMBL886286 0.90 KCNA5 (0.38) SMN1; SMN2KCNA5ALDH1A1MEN1KMT2A
SCHEMBL884667 0.88 HRH3 (0.38) NPC1RAB9AKCNA5ALDH1A1MEN1
SCHEMBL2063834 0.88 KCNA5 (0.38) KCNA5ALDH1A1MEN1KMT2ATSHR
SCHEMBL884959 0.87 KCNA5 (0.37) KCNA5ALDH1A1TSHRMAPK1KCNH2
SCHEMBL884952 0.87 KCNA5 (0.40) KCNA5ALDH1A1TSHRMAPK1KCNH2
SCHEMBL884566 0.86 ALDH1A1 (0.38) NPC1HTTRAB9ASMN1; SMN2KCNA5
SCHEMBL2062908 0.84 KCNA5 (0.38) KCNA5ALDH1A1TSHRMAPK1KCNH2
SCHEMBL885665 0.83 KCNA5 (0.42) NPC1RAB9ASMN1; SMN2KCNA5ALDH1A1
SCHEMBL885978 0.83 KCNA5 (0.42) NPC1RAB9ASMN1; SMN2KCNA5ALDH1A1
SCHEMBL884813 0.82 KCNA5 (0.43) NPC1HTTRAB9ASMN1; SMN2KCNA5

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
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US claimed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP claimed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO claimed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 NPC1 660/4885HTT 2474/4885RAB9A 2246/4885

“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.