SCHEMBL4843009

SCHEMBL4843009

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3cccc(C)c3)cc1)NC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.49
KCNK9 Q9NPC2 2/20 0.48
TP53 P04637 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
AGTR1 P30556 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
SCHEMBL4843022 1.00 KCNK3 (0.49) KCNK3KCNK9TP53RAB9ASMN1; SMN2
SCHEMBL4837792 0.94 KMT2A (0.51) TP53RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4837807 0.94 KMT2A (0.51) TP53RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4844824 0.93 KCNK3 (0.53) KCNK3KCNK9TP53RAB9ASMN1; SMN2
SCHEMBL4844811 0.93 KCNK3 (0.53) KCNK3KCNK9TP53RAB9ASMN1; SMN2
SCHEMBL4840832 0.91 NPC1 (0.49) KCNK3KCNK9TP53RAB9ASMN1; SMN2
SCHEMBL4835216 0.91 NPC1 (0.51) TP53RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4835233 0.91 NPC1 (0.51) TP53RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL4840822 0.91 NPC1 (0.49) KCNK3KCNK9TP53RAB9ASMN1; SMN2
SCHEMBL4847130 0.91 NPC1 (0.46) TP53RAB9ASMN1; SMN2NPC1NFKB1

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 3540/4885TP53 2237/4885

“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.