SCHEMBL886322

SCHEMBL886322

Fc1cccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.39
MAOB P27338 1/20 0.38
KCNH2 Q12809 7/20 0.38
GRM5 P41594 1/20 0.38
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 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
SCHEMBL885452 0.91 RPS6KB1 (0.38) KCNA5MAOBKCNH2TP53USP2
SCHEMBL885978 0.90 KCNA5 (0.42) KCNA5KCNH2TP53USP2ALDH1A1
SCHEMBL885665 0.90 KCNA5 (0.42) KCNA5KCNH2TP53USP2ALDH1A1
SCHEMBL886357 0.90 KCNA5 (0.54) KCNA5KCNH2LMNAMAPTCYP1A2
SCHEMBL885622 0.88 KCNA5 (0.36) KCNA5KCNH2GRM5
SCHEMBL886532 0.88 KCNA5 (0.36) KCNA5KCNH2USP2ALDH1A1LMNA
SCHEMBL884813 0.88 KCNA5 (0.43) KCNA5KCNH2TP53USP2ALDH1A1
SCHEMBL886749 0.88 KCNA5 (0.54) KCNA5KCNH2GRM5TP53ALDH1A1
SCHEMBL2063159 0.88 CHRNB2 (0.47) KCNA5KCNH2GRM5CHRNB2CHRNA5
SCHEMBL2062372 0.88 KCNA5 (0.38) KCNA5KCNH2ALDH1A1S1PR1

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 11/4885MAOB 3132/4885KCNH2 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.