SCHEMBL2062500

SCHEMBL2062500

Fc1ccccc1-c1nc(C(Cc2cccnc2N2CCCCC2)c2cccnc2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.39
KCNH2 Q12809 3/20 0.39
MAOB P27338 1/20 0.37
HIF1A Q16665 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
MAPK1 P28482 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL885622 0.92 KCNA5 (0.36) KCNA5KCNH2ALOX5AP
SCHEMBL886532 0.91 KCNA5 (0.36) KCNA5KCNH2NPC1RAB9AMAPK1
SCHEMBL2062372 0.91 KCNA5 (0.38) KCNA5KCNH2PKMALDH1A1ALOX5AP
SCHEMBL885962 0.90 KCNA5 (0.50) KCNA5KCNH2MAOBNPC1RAB9A
SCHEMBL2063115 0.89 KCNA5 (0.38) KCNA5KCNH2
SCHEMBL885844 0.89 KCNA5 (0.42) KCNA5KCNH2L3MBTL1MAPK1SMN1; SMN2
SCHEMBL885665 0.88 KCNA5 (0.42) KCNA5KCNH2NPC1RAB9APKM
SCHEMBL885896 0.87 S1PR1 (0.41) KCNA5KCNH2NPC1RAB9AKMT2A
SCHEMBL885452 0.87 RPS6KB1 (0.38) KCNA5KCNH2MAOBNPC1RAB9A
SCHEMBL885978 0.87 KCNA5 (0.42) KCNA5KCNH2NPC1RAB9APKM

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-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US 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 KCNA5 11/4885KCNH2 3/4885MAOB 3132/4885

“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.