SCHEMBL4464191

SCHEMBL4464191

COc1ccc(C(c2cccnc2)N(c2cccnc2)c2cccc(NC(=O)O)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
ROCK2 O75116 1/20 0.36
CHRNA7 P36544 1/20 0.36
MEN1 O00255 1/20 0.35
GRM5 P41594 2/20 0.34
ADORA2A P29274 1/20 0.34
PDE4D Q08499 1/20 0.34
CTSA P10619 1/20 0.34
OXTR P30559 1/20 0.33
KCNA5 P22460 1/20 0.33
LMNA P02545 1/20 0.33
NAMPT P43490 1/20 0.33
PFKFB3 Q16875 1/20 0.33
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33

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
SCHEMBL4453052 0.95 ALDH1A1 (0.40) KMT2AALDH1A1POLBROCK2GRM5
SCHEMBL4468137 0.88 GAA (0.36) GRM5KCNA5LMNANAMPT
SCHEMBL4462113 0.87 ALDH1A1 (0.40) KMT2AALDH1A1POLBROCK2GRM5
SCHEMBL4466470 0.85 KCNA5 (0.46) KMT2AALDH1A1MEN1ADORA2AKCNA5
SCHEMBL4461864 0.84 SMN1; SMN2 (0.38) KCNA5LMNANAMPT
SCHEMBL4458245 0.82 CYP19A1 (0.35) KMT2AALDH1A1POLBROCK2MEN1
SCHEMBL4470602 0.81 KCNA5 (0.35) KMT2AROCK2MEN1ADORA2APDE4D
SCHEMBL4461880 0.81 KCNA5 (0.35) KMT2AROCK2MEN1ADORA2APDE4D
SCHEMBL4463549 0.81 CYP19A1 (0.43) ALDH1A1GRM5KCNA5LMNA
SCHEMBL14435380 0.81 ROCK2 (0.36) KMT2AALDH1A1POLBROCK2GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP claimed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 WO claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 KMT2A 130/4885ALDH1A1 2688/4885POLB 4703/4885

“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.