SCHEMBL885892

SCHEMBL885892

COc1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.46
MAPT P10636 6/20 0.46
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KCNA5 P22460 1/20 0.40
S1PR1 P21453 3/20 0.39
HSD17B10 Q99714 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
NOS1 P29475 1/20 0.38
S1PR3 Q99500 1/20 0.37

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
SCHEMBL2062721 0.90 RAB9A (0.44) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL886749 0.89 KCNA5 (0.54) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL2062950 0.89 KCNA5 (0.47) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL885896 0.87 S1PR1 (0.41) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL2063221 0.87 ALDH1A1 (0.41) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL885978 0.86 KCNA5 (0.42) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL885665 0.86 KCNA5 (0.42) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL885598 0.86 ALDH1A1 (0.50) MAPTRAB9ASMN1; SMN2KCNA5HSD17B10
SCHEMBL884813 0.86 KCNA5 (0.43) NPC1MAPTRAB9ASMN1; SMN2KCNA5
SCHEMBL885452 0.85 RPS6KB1 (0.38) NPC1MAPTRAB9ASMN1; SMN2KCNA5

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 NPC1 660/4885MAPT 2696/4885RAB9A 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.