SCHEMBL2062908

SCHEMBL2062908

CCC(C)c1nc(C(Cc2cccnc2N2CCCCC2)c2cccnc2)no1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 11/20 0.38
KCNH2 Q12809 3/20 0.38
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SRC P12931 1/20 0.33
KCNN4 O15554 1/20 0.33
SCN2A Q99250 2/20 0.33
SCN10A Q9Y5Y9 2/20 0.33

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
SCHEMBL884952 0.91 KCNA5 (0.40) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL886820 0.89 NPC1 (0.40) KCNA5KCNH2ALDH1A1LMNAMAPT
SCHEMBL886286 0.89 KCNA5 (0.38) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL884667 0.87 HRH3 (0.38) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL884959 0.86 KCNA5 (0.37) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL885978 0.85 KCNA5 (0.42) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL885665 0.85 KCNA5 (0.42) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL2063834 0.84 KCNA5 (0.38) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL885899 0.84 NPC1 (0.37) KCNA5KCNH2TSHRMAPK1USP2
SCHEMBL884813 0.84 KCNA5 (0.43) KCNA5KCNH2TSHRMAPK1USP2

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 3/4885TSHR 2897/4885

“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.