SCHEMBL6501867

SCHEMBL6501867

CC(C)(C)OC(=O)Nc1nc(CCOc2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.38
LMNA P02545 3/20 0.38
SIRT1 Q96EB6 1/20 0.37
MAPT P10636 4/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
SREBF2 Q12772 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
TNF P01375 1/20 0.34
RAB9A P51151 1/20 0.34
NOD1 Q9Y239 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 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
SCHEMBL6499119 0.91 TP53 (0.45) TP53LMNASIRT1MAPTPPARA
SCHEMBL6676731 0.90 TP53 (0.40) TP53LMNAMAPTPPARGPPARA
SCHEMBL6489540 0.86 TP53 (0.36) TP53LMNASIRT1MAPTKDM4E
SCHEMBL6490024 0.86 TP53 (0.39) TP53LMNAMAPTPPARGPPARA
SCHEMBL6493019 0.83 MAPK14 (0.37) TP53LMNAMAPTPPARGPPARA
SCHEMBL6487517 0.82 TP53 (0.39) TP53LMNASIRT1MAPTKDM4E
SCHEMBL6490926 0.82 MAPT (0.37) TP53LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL6492058 0.79 HTR2C (0.50) HTR2AHTR2CHTR2BL3MBTL1NPC1
SCHEMBL6500383 0.79 GAA (0.39) MAPTPPARGPPARAKDM4EHTR2A
SCHEMBL6533865 0.79 ITGB3 (0.37) TP53PPARGPPARAPOLBHTR2A

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 TP53 3031/4885LMNA 629/4885SIRT1 804/4885

“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.