SCHEMBL4461864

SCHEMBL4461864

O=C(O)Nc1cccc(N(c2ccccc2)C(c2cccnc2)c2cccnc2)n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
EPHX2 P34913 1/20 0.38
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
TSHR P16473 1/20 0.37
CFTR P13569 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GOPC Q9HD26 1/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
TBXAS1 P24557 1/20 0.36
KCNA5 P22460 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL4468137 0.95 GAA (0.36) SMN1; SMN2EPHX2CYP2C9NAMPTTSHR
SCHEMBL4456765 0.91 POLB (0.42) EPHX2NPC1RAB9AKCNA5LMNA
SCHEMBL4453045 0.91 NR3C2 (0.39) SMN1; SMN2EPHX2CYP2C9NAMPTTSHR
SCHEMBL4458217 0.86 NAMPT (0.40) CYP2C9NAMPTKCNA5LMNAL3MBTL1
SCHEMBL4463549 0.86 CYP19A1 (0.43) SMN1; SMN2KCNA5LMNA
SCHEMBL4453052 0.84 ALDH1A1 (0.40) NAMPT
SCHEMBL4464191 0.84 KMT2A (0.39) NAMPTKCNA5LMNA
SCHEMBL14435381 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL4466427 0.81 KCNA5 (0.51) CFTRSLC6A2SLC6A4SLC6A3GOPC
SCHEMBL4469178 0.81 POLB (0.41) EPHX2KCNA5LMNAL3MBTL1

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 SMN1; SMN2 3817/4885EPHX2 3802/4885CYP2C9 1842/4885

“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.