SCHEMBL6490167

SCHEMBL6490167

CCc1ccc(C2=C(C(=O)Nc3ccc(NCCc4cccc(N)n4)nc3)CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.35
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
RAB9A P51151 8/20 0.34
NPC1 O15118 6/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
TP53 P04637 4/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
HDAC1 Q13547 1/20 0.34
CXCR4 P61073 1/20 0.34
ATR Q13535 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
NR4A1 P22736 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL6491525 0.92 ALDH1A1 (0.38) DGAT1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6499546 0.90 RAB9A (0.39) PDGFRBKDRRAB9ANPC1SMN1; SMN2
SCHEMBL6492575 0.89 DGAT1 (0.39) DGAT1KDRTP53CXCR4KDM4E
SCHEMBL6487761 0.87 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TP53HSD17B10
SCHEMBL6497226 0.86 TP53 (0.40) DGAT1RAB9ANPC1SMN1; SMN2TP53
SCHEMBL6497772 0.85 ITGB1 (0.37) PDGFRBKDRRAB9ANPC1SMN1; SMN2
SCHEMBL6531977 0.82 TP53 (0.40) KDRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6487340 0.82 ITGB1 (0.45) RAB9ATP53HSD17B10MAPTKDM4E
SCHEMBL6491345 0.79 CYP1A2 (0.44) KDRRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6491821 0.79 CXCR4 (0.41) KDRRAB9ANPC1SMN1; SMN2TP53

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 DGAT1 1476/4885PDGFRB 203/4885KDR 1123/4885

“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.