SCHEMBL6495778

SCHEMBL6495778

CCc1ccc(C2=C(C(=O)Nc3ccc(OCCc4cccc(NC(=O)O)n4)nc3)CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.42
ITGAV P06756 5/20 0.42
ITGB1 P05556 3/20 0.42
ITGA5 P08648 3/20 0.42
ITGB6 P18564 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PPARG P37231 7/20 0.36
PPARA Q07869 7/20 0.36
KDM4E B2RXH2 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL6497772 0.90 ITGB1 (0.37) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6491074 0.90 PPARG (0.41) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6490709 0.89 CHRNB2 (0.45) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6490926 0.85 MAPT (0.37) NPC1LMNAPKMKDM4ERAB9A
SCHEMBL6533865 0.85 ITGB3 (0.37) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6498885 0.84 PPARG (0.37) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6487913 0.83 CHRNB2 (0.43) ITGB3ITGAVITGB1ITGA5ITGB6
SCHEMBL6496990 0.83 RAB9A (0.37) NPC1LMNAKDM4ERAB9A
SCHEMBL6487835 0.81 HTR2C (0.48) NPC1LMNAPKMHTR2AHTR2C
SCHEMBL6493019 0.79 MAPK14 (0.37) NPC1LMNAPPARGPPARARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ITGB3 2225/4885ITGAV 2516/4885ITGB1 642/4885

“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.