SCHEMBL6487340

SCHEMBL6487340

CCc1ccc(C2=C(C(=O)Nc3ccc(OCCc4cccc(N)n4)cc3)CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.45
ITGA5 P08648 5/20 0.45
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
DHODH Q02127 1/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
TP53 P04637 1/20 0.39
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 2/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL6679658 0.92 ITGB1 (0.43) ITGB1ITGA5S1PR1S1PR3DHODH
SCHEMBL6490709 0.90 CHRNB2 (0.45) ITGB1ITGA5DHODHMAPTHPGD
SCHEMBL6497772 0.89 ITGB1 (0.37) ITGB1ITGA5MAPTHSD17B10ALDH1A1
SCHEMBL6501432 0.88 ITGB1 (0.42) ITGB1ITGA5S1PR1S1PR3DHODH
SCHEMBL6499546 0.87 RAB9A (0.39) DHODHMAPTHSD17B10ALDH1A1TP53
SCHEMBL6492522 0.85 SMN1; SMN2 (0.47) MAPTHPGDHSD17B10ALDH1A1TP53
SCHEMBL6487913 0.83 CHRNB2 (0.43) ITGB1ITGA5DHODHCHRNB2CHRNB4
SCHEMBL6490167 0.82 DGAT1 (0.35) MAPTHSD17B10ALDH1A1TP53MEN1
SCHEMBL6498885 0.81 PPARG (0.37) ITGB1ITGA5TP53ITGB3ITGAV
SCHEMBL6490483 0.81 POLB (0.42) DHODHMAPTHPGDHSD17B10ALDH1A1

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 2563/4885S1PR1 675/4885

“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.