SCHEMBL4461835

SCHEMBL4461835

COc1ccc(N(c2ccc(OC)nc2)C(c2cccnc2)c2cccnc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.40
KCNA5 P22460 2/20 0.40
OXTR P30559 5/20 0.39
CFTR P13569 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GOPC Q9HD26 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
ROCK2 O75116 1/20 0.36
AVPR1A P37288 1/20 0.36
AVPR2 P30518 1/20 0.36
PDE4D Q08499 1/20 0.36
HTR6 P50406 1/20 0.36

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 0.97 KCNA5 (0.42) CYP19A1KCNA5OXTRCFTRSLC6A2
SCHEMBL4456687 0.92 POLB (0.39) CYP19A1KCNA5OXTRALDH1A1POLB
SCHEMBL4469601 0.92 KCNA5 (0.42) CYP19A1KCNA5CFTRSLC6A2SLC6A4
SCHEMBL14435718 0.90 PDE4D (0.37) CYP19A1KCNA5OXTRCFTRSLC6A2
SCHEMBL4457675 0.89 KCNA5 (0.41) CYP19A1KCNA5OXTRSLC6A2SLC6A4
SCHEMBL4454542 0.89 CYP19A1 (0.45) CYP19A1KCNA5OXTRKMT2A
SCHEMBL4460426 0.89 CYP19A1 (0.48) CYP19A1KCNA5OXTRAVPR1A
SCHEMBL4462686 0.88 CYP19A1 (0.40) CYP19A1KCNA5OXTRKMT2AHCRTR1
SCHEMBL4464233 0.87 KCNA5 (0.35) CYP19A1KCNA5OXTRSLC6A2SLC6A4
SCHEMBL4468118 0.87 KCNA5 (0.36) CYP19A1KCNA5OXTRALDH1A1POLB

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 6 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
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
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 CYP19A1 4359/4885KCNA5 11/4885OXTR 2684/4885

“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.