SCHEMBL6497772

SCHEMBL6497772

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.37
ITGA5 P08648 2/20 0.37
ITGB3 P05106 2/20 0.37
ITGAV P06756 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 5/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
EGFR P00533 2/20 0.34
ITGB6 P18564 1/20 0.34
CXCR1 P25024 1/20 0.34

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
SCHEMBL6498885 0.92 PPARG (0.37) ITGB1ITGA5ITGB3ITGAVRAB9A
SCHEMBL6495778 0.90 ITGB3 (0.42) ITGB1ITGA5ITGB3ITGAVKDM4E
SCHEMBL6487340 0.89 ITGB1 (0.45) ITGB1ITGA5ITGB3ITGAVKDM4E
SCHEMBL6500383 0.89 GAA (0.39) KDM4ENPC1RAB9AHTR2AHTR2C
SCHEMBL6496990 0.86 RAB9A (0.37) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL6490167 0.85 DGAT1 (0.35) KDM4ENPC1RAB9AMAPTMEN1
SCHEMBL6499546 0.83 RAB9A (0.39) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL6490926 0.82 MAPT (0.37) KDM4ENPC1RAB9ALMNAPKM
SCHEMBL6679658 0.81 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGAVKDM4E
SCHEMBL6491074 0.80 PPARG (0.41) ITGB1ITGA5ITGB3ITGAVKDM4E

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 3 patents. 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
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 ITGB1 642/4885ITGA5 2563/4885ITGB3 2225/4885

“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.