SCHEMBL886749

SCHEMBL886749

COc1cccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.54
NPC1 O15118 8/20 0.45
RAB9A P51151 7/20 0.45
TP53 P04637 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KCNH2 Q12809 1/20 0.42
S1PR1 P21453 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.40
GRM5 P41594 1/20 0.40

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
SCHEMBL2062950 0.94 KCNA5 (0.47) KCNA5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2062721 0.91 RAB9A (0.44) KCNA5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL885892 0.89 NPC1 (0.46) KCNA5NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL885978 0.88 KCNA5 (0.42) KCNA5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL885665 0.88 KCNA5 (0.42) KCNA5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL886322 0.88 KCNA5 (0.39) KCNA5TP53MAPTCYP1A2CYP3A4
SCHEMBL886820 0.86 NPC1 (0.40) KCNA5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL884813 0.86 KCNA5 (0.43) KCNA5NPC1RAB9ATP53SMN1; SMN2
SCHEMBL886357 0.86 KCNA5 (0.54) KCNA5NPC1RAB9AMAPTCYP1A2
SCHEMBL2063159 0.86 CHRNB2 (0.47) KCNA5CYP3A4CYP2C9CYP2C19KCNH2

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 11/4885NPC1 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.