SCHEMBL4844824

SCHEMBL4844824

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(=O)c3cccc(C)c3)c1)NC(C)(C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.53
KCNK9 Q9NPC2 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 3/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KCNH2 Q12809 1/20 0.44
GPR17 Q13304 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4844811 1.00 KCNK3 (0.53) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4837732 0.94 RAB9A (0.52) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4837741 0.94 RAB9A (0.52) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4838059 0.93 KCNK3 (0.47) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4838069 0.93 KCNK3 (0.47) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4843009 0.93 KCNK3 (0.49) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4843022 0.93 KCNK3 (0.49) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4844272 0.92 RXFP1 (0.55) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4844284 0.92 RXFP1 (0.55) KCNK3KCNK9SMN1; SMN2NPC1RAB9A
SCHEMBL4839736 0.92 RAB9A (0.51) KCNK3KCNK9SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 KCNK3 3878/4885KCNK9 3540/4885SMN1; SMN2 144/4885

“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.