SCHEMBL884695

SCHEMBL884695

Clc1ccc(C(Cc2cccnc2Cl)c2cccnc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 13/20 0.58
CYP19A1 P11511 1/20 0.53
KCNH2 Q12809 5/20 0.52
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CFTR P13569 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GOPC Q9HD26 1/20 0.39
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP3A5 P20815 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
SCHEMBL2063083 0.93 KCNA5 (0.64) KCNA5CYP19A1KCNH2LMNASMN1; SMN2
SCHEMBL884536 0.82 KCNA5 (0.75) KCNA5CYP19A1KCNH2
SCHEMBL884705 0.80 KCNA5 (0.84) KCNA5CYP19A1KCNH2L3MBTL1SLC6A2
SCHEMBL2062733 0.79 KCNA5 (0.54) KCNA5CYP19A1KCNH2SMN1; SMN2
SCHEMBL11737642 0.76 CYP19A1 (0.62) KCNA5CYP19A1KCNH2LMNASMN1; SMN2
SCHEMBL884653 0.76 KCNA5 (0.81) KCNA5KCNH2
SCHEMBL884727 0.75 KCNA5 (0.59) KCNA5KCNH2LMNASMN1; SMN2L3MBTL1
Ammonia Solution, Strong SCHEMBL6000489 0.75 CYP19A1 (0.60) KCNA5CYP19A1KCNH2LMNASMN1; SMN2
SCHEMBL885138 0.74 KCNA5 (1.00) KCNA5KCNH2
SCHEMBL884981 0.73 KCNA5 (1.00) KCNA5KCNH2SLC6A2SLC6A4SLC6A3

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 11/4885CYP19A1 4632/4885KCNH2 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.