SCHEMBL885896

SCHEMBL885896

COc1ccccc1-c1nc(C(Cc2cccnc2N2CCCCC2)c2cccnc2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PKM P14618 1/20 0.39
KCNA5 P22460 6/20 0.38
ALDH1A1 P00352 3/20 0.37
KCNH2 Q12809 3/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL885962 0.87 KCNA5 (0.50) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2062500 0.87 KCNA5 (0.39) GAANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL885892 0.87 NPC1 (0.46) S1PR1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL885844 0.86 KCNA5 (0.42) SMN1; SMN2TP53HSD17B10KCNA5ALDH1A1
SCHEMBL885665 0.86 KCNA5 (0.42) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL2062721 0.86 RAB9A (0.44) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2062950 0.85 KCNA5 (0.47) S1PR1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2063115 0.85 KCNA5 (0.38) S1PR1KCNA5KCNH2
SCHEMBL885978 0.84 KCNA5 (0.42) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL885622 0.84 KCNA5 (0.36) KCNA5KCNH2

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 S1PR1 1283/4885POLB 4819/4885GAA 3707/4885

“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.