SCHEMBL4453052

SCHEMBL4453052

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.37
OXTR P30559 4/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
GRM5 P41594 2/20 0.36
ADORA2A P29274 1/20 0.35
AVPR1A P37288 1/20 0.35
AVPR2 P30518 1/20 0.35
CTSA P10619 1/20 0.35
NAMPT P43490 1/20 0.35
CYP19A1 P11511 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
SCHEMBL4464191 0.95 KMT2A (0.39) ALDH1A1POLBKMT2AROCK2OXTR
SCHEMBL4462113 0.91 ALDH1A1 (0.40) ALDH1A1POLBKMT2AROCK2OXTR
SCHEMBL4458245 0.87 CYP19A1 (0.35) ALDH1A1POLBKMT2AROCK2OXTR
SCHEMBL4468137 0.86 GAA (0.36) GRM5NAMPT
SCHEMBL14435380 0.85 ROCK2 (0.36) ALDH1A1POLBKMT2AROCK2OXTR
SCHEMBL4460609 0.84 KCNA5 (0.46) ALDH1A1KMT2AOXTRHCRTR1HCRTR2
SCHEMBL13971399 0.84 ADORA2A (0.34) ALDH1A1POLBKMT2AROCK2OXTR
SCHEMBL4461864 0.84 SMN1; SMN2 (0.38) NAMPT
SCHEMBL4462686 0.83 CYP19A1 (0.40) KMT2AROCK2OXTRHCRTR1HCRTR2
SCHEMBL4456765 0.83 POLB (0.42) POLB

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

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

“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.