SCHEMBL884566

SCHEMBL884566

c1ccc(Cc2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
KCNA5 P22460 9/20 0.37
KCNH2 Q12809 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S1PR1 P21453 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL886286 0.89 KCNA5 (0.38) ALDH1A1SMN1; SMN2TSHRMAPK1KCNA5
SCHEMBL884667 0.87 HRH3 (0.38) ALDH1A1NPC1RAB9ATSHRMAPK1
SCHEMBL885598 0.87 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2TSHRMAPK1
SCHEMBL885899 0.86 NPC1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2063834 0.86 KCNA5 (0.38) ALDH1A1TSHRMAPK1KCNA5KCNH2
SCHEMBL884952 0.86 KCNA5 (0.40) ALDH1A1TSHRMAPK1KCNA5KCNH2
SCHEMBL885665 0.85 KCNA5 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL884925 0.84 PPARA (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL885978 0.83 KCNA5 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2062908 0.83 KCNA5 (0.38) ALDH1A1TSHRMAPK1KCNA5KCNH2

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 ALDH1A1 2989/4885NPC1 660/4885RAB9A 2246/4885

“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.