SCHEMBL885598

SCHEMBL885598

COc1ccc(Cc2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
POLB P06746 3/20 0.45
TSHR P16473 4/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KCNA5 P22460 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.36
MAPK1 P28482 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDE4A P27815 1/20 0.34
CYP51A1 Q16850 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
SCHEMBL884566 0.87 ALDH1A1 (0.38) ALDH1A1TSHRMAPTRAB9ALMNA
SCHEMBL885892 0.86 NPC1 (0.46) ALDH1A1POLBTSHRMAPTRAB9A
SCHEMBL2063834 0.84 KCNA5 (0.38) ALDH1A1POLBTSHRMAPTLMNA
SCHEMBL886286 0.83 KCNA5 (0.38) ALDH1A1TSHRMAPTLMNAKMT2A
SCHEMBL884667 0.82 HRH3 (0.38) ALDH1A1TSHRMAPTRAB9ALMNA
SCHEMBL885899 0.81 NPC1 (0.37) ALDH1A1TSHRMAPTRAB9ALMNA
SCHEMBL885896 0.81 S1PR1 (0.41) ALDH1A1POLBTSHRMAPTRAB9A
SCHEMBL884952 0.81 KCNA5 (0.40) ALDH1A1TSHRMAPTLMNAHSD17B10
SCHEMBL2062950 0.79 KCNA5 (0.47) TSHRMAPTRAB9AKMT2AMEN1
SCHEMBL2062721 0.79 RAB9A (0.44) ALDH1A1MAPTRAB9ALMNAKMT2A

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 2989/4885POLB 4819/4885TSHR 2897/4885

“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.