SCHEMBL4834781

SCHEMBL4834781

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc1)NC(C)(C)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
PLAU P00749 6/20 0.46
PLG P00747 4/20 0.46
PLAT P00750 4/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.45
CTDSP1 Q9GZU7 2/20 0.45
KMT2A Q03164 2/20 0.45
GSK3B P49841 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.43
PGR P06401 1/20 0.43
MCHR1 Q99705 1/20 0.42
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL4834790 1.00 TRPV1 (0.48) TRPV1ADORA3PLAUPLGPLAT
SCHEMBL4840822 0.95 NPC1 (0.49) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL4840832 0.95 NPC1 (0.49) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL4835360 0.95 KCNK9 (0.47) TRPV1ADORA3MAPTKDM4EALDH1A1
SCHEMBL4835346 0.95 KCNK9 (0.47) TRPV1ADORA3MAPTKDM4EALDH1A1
SCHEMBL4839109 0.93 RAB9A (0.49) PLAUMAPTKDM4EALDH1A1HPGD
SCHEMBL4839102 0.93 RAB9A (0.49) PLAUMAPTKDM4EALDH1A1HPGD
SCHEMBL4844588 0.92 TRPV1 (0.53) TRPV1ADORA3MAPTKDM4EALDH1A1
SCHEMBL4844570 0.92 TRPV1 (0.53) TRPV1ADORA3MAPTKDM4EALDH1A1
SCHEMBL4835216 0.90 NPC1 (0.51) MAPTKDM4EALDH1A1HPGDRAB9A

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 TRPV1 1672/4885ADORA3 1555/4885PLAU 1618/4885

“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.