SCHEMBL6492575

SCHEMBL6492575

Nc1cccc(CCNc2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cn2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.39
MCHR1 Q99705 3/20 0.36
KIT P10721 3/20 0.36
KDR P35968 2/20 0.36
MAPK14 Q16539 2/20 0.36
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
MET P08581 1/20 0.35
CXCR4 P61073 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
BACE1 P56817 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
APOB P04114 1/20 0.34
MTTP P55157 1/20 0.34
SMO Q99835 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
SCHEMBL6491821 0.92 CXCR4 (0.41) MCHR1KITKDRKDM4EPTGS1
SCHEMBL6491525 0.89 ALDH1A1 (0.38) DGAT1MCHR1KDM4ETP53BACE1
SCHEMBL6490167 0.89 DGAT1 (0.35) DGAT1KDRKDM4ECXCR4TP53
SCHEMBL6490251 0.88 NPC1 (0.43) DGAT1TP53TRPV1APOBMTTP
SCHEMBL6488453 0.86 TP53 (0.42) DGAT1KDM4ELMNATP53
SCHEMBL6500383 0.85 GAA (0.39) MCHR1KITKDRMAPK14KDM4E
SCHEMBL6501432 0.83 ITGB1 (0.42) MCHR1PTGS1METLMNATP53
SCHEMBL6488407 0.81 LMNA (0.47) MCHR1KITKDRKDM4EPTGS1
SCHEMBL6531977 0.81 TP53 (0.40) KDRKDM4EMETTP53
SCHEMBL6489350 0.81 APOB (0.43) DGAT1MCHR1KITKDRMAPK14

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 6 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 claimed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP claimed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO claimed
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 DGAT1 1476/4885MCHR1 3592/4885KIT 4485/4885

“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.