SCHEMBL3624115

SCHEMBL3624115

C=CCn1c(C#N)c(-c2ccccc2)c2cc(-c3ccoc3)ccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.43
KCNH2 Q12809 5/20 0.43
KDM4E B2RXH2 9/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
ALDH1A1 P00352 9/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
HSP90AB1 P08238 1/20 0.39
HPGD P15428 6/20 0.39
GAA P10253 5/20 0.39
GLA P06280 2/20 0.39
RCE1 Q9Y256 1/20 0.39
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
ESR1 P03372 1/20 0.38
S1PR1 P21453 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL3621169 0.82 KCNA5 (0.43) KCNA5KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL13379985 0.81 KDM4E (0.53) KCNA5KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL3624564 0.81 HSP90AB1 (0.43) KCNA5KCNH2KDM4EALDH1A1HSP90AB1
SCHEMBL3624698 0.78 KCNA5 (0.67) KCNA5KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL3621897 0.72 KCNA5 (0.69) KCNA5KCNH2HSP90AB1DPP4
SCHEMBL3116222 0.72 KCNA5 (0.49) KCNA5KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL3624718 0.71 KCNA5 (0.50) KCNA5KCNH2
SCHEMBL3111741 0.71 KCNA5 (0.56) KCNA5KCNH2KDM4EL3MBTL1ALDH1A1
SCHEMBL4677955 0.71 KCNA5 (0.51) KCNA5KCNH2
SCHEMBL13283560 0.69 KCNA5 (0.59) KCNA5KCNH2KDM4EL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US claimed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 US claimed
US-7763614-B2 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-20070054892-A1 Isoquinoline potassium channel inhibitors MERCK SHARP & DOHME CORP. 2007-03-08 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-20070054892-A1 Isoquinoline potassium channel inhibitors KCNQ1, KCNQ2, KCNQ5 KCNA5 14/4885KCNH2 5/4885KDM4E 856/4885

“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.