SCHEMBL884585

SCHEMBL884585

O=C(NCc1cccnc1)c1cccc(-c2ccccc2CC(c2cccnc2)c2cccnc2)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.66
SMN1; SMN2 Q16637 3/20 0.59
KCNH2 Q12809 3/20 0.58
HTT P42858 3/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 1/20 0.51
HPGD P15428 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
EPHX1 P07099 1/20 0.48
LMNA P02545 1/20 0.48
NAMPT P43490 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL885046 0.97 KCNA5 (0.67) KCNA5SMN1; SMN2KCNH2HTTKMT2A
SCHEMBL884694 0.93 KCNA5 (0.65) KCNA5SMN1; SMN2KCNH2HTTKMT2A
SCHEMBL884672 0.92 KCNA5 (0.61) KCNA5SMN1; SMN2KCNH2HTTKMT2A
SCHEMBL2063939 0.88 KCNA5 (0.63) KCNA5SMN1; SMN2KCNH2HTTKMT2A
SCHEMBL884297 0.87 KCNA5 (0.67) KCNA5SMN1; SMN2KCNH2KMT2ARAB9A
SCHEMBL884739 0.84 KCNA5 (0.78) KCNA5KCNH2ALDH1A1
SCHEMBL884689 0.84 KCNA5 (0.68) KCNA5KCNH2RAB9AALDH1A1LMNA
SCHEMBL884480 0.84 KCNA5 (0.71) KCNA5KCNH2CYP2C9CYP2C19
SCHEMBL884700 0.83 KCNA5 (0.67) KCNA5SMN1; SMN2KCNH2
SCHEMBL884716 0.83 KCNA5 (0.65) KCNA5SMN1; SMN2KCNH2CYP2C9CYP2C19

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 KCNA5 11/4885SMN1; SMN2 4477/4885KCNH2 3/4885

“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.