SCHEMBL6501432

SCHEMBL6501432

Nc1cccc(CCOc2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MGAT2 Q10469 1/20 0.38
OPRL1 P41146 1/20 0.38
MCHR1 Q99705 2/20 0.38
SIGMAR1 Q99720 1/20 0.37
EPHX2 P34913 2/20 0.37
CDK8 P49336 1/20 0.37
CDK7 P50613 1/20 0.37
CDK6 Q00534 1/20 0.37
PTGS1 P23219 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
PPARA Q07869 1/20 0.36
MET P08581 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL6500383 0.89 GAA (0.39) MCHR1PPARA
SCHEMBL6679658 0.89 ITGB1 (0.43) ITGB1ITGA5TP53S1PR1S1PR3
SCHEMBL6491821 0.89 CXCR4 (0.41) LMNATP53MCHR1PTGS1TRPV1
SCHEMBL6487340 0.88 ITGB1 (0.45) ITGB1ITGA5LMNATP53S1PR1
SCHEMBL6503252 0.87 TRPV1 (0.47) TRPV1
SCHEMBL6503117 0.86 TP53 (0.47) LMNATP53MGAT2
SCHEMBL6490538 0.86 CHRNB2 (0.38) ITGB1ITGA5LMNATP53MGAT2
SCHEMBL6488407 0.85 LMNA (0.47) LMNAMCHR1PTGS1MET
SCHEMBL6678251 0.84 CHRNB2 (0.41) ITGB1ITGA5LMNATP53MGAT2
SCHEMBL6492575 0.83 DGAT1 (0.39) LMNATP53MCHR1PTGS1TRPV1

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 2563/4885LMNA 629/4885

“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.