SCHEMBL4457675

SCHEMBL4457675

COc1ccc(N(c2cccc(Cl)c2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.41
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CYP19A1 P11511 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
CRHR1 P34998 1/20 0.35
GRM4 Q14833 1/20 0.35
MAPK1 P28482 1/20 0.35
KCND3 Q9UK17 1/20 0.34
KDR P35968 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
GRM5 P41594 1/20 0.34
EGFR P00533 1/20 0.34
CSF1R P07333 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
SCHEMBL4457212 0.89 KCNA5 (0.42) KCNA5SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL4461835 0.89 CYP19A1 (0.40) KCNA5SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL4454542 0.88 CYP19A1 (0.45) KCNA5CYP19A1CRHR1OXTR
SCHEMBL4470049 0.85 KCNA5 (0.46) KCNA5SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL4464233 0.84 KCNA5 (0.35) KCNA5SLC6A2SLC6A4CYP19A1OXTR
SCHEMBL4469601 0.84 KCNA5 (0.42) KCNA5SLC6A2SLC6A4SLC6A3CYP19A1
SCHEMBL4471213 0.83 KCNA5 (0.42) KCNA5CYP19A1GRM5OXTR
SCHEMBL4462469 0.82 OXTR (0.41) CYP19A1OXTR
SCHEMBL4456687 0.82 POLB (0.39) KCNA5CYP19A1KCND3OXTR
SCHEMBL4464162 0.81 KCNA5 (0.48) KCNA5SLC6A2SLC6A4SLC6A3OPRM1

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
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
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 KCNA5 11/4885MAOA 2146/4885MAOB 1851/4885

“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.