SCHEMBL6499546

SCHEMBL6499546

CCc1ccc(C2=C(C(=O)Nc3ccc(NCCc4cccc(N)n4)cc3)CCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.39
NPC1 O15118 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
RECQL P46063 1/20 0.39
ESR2 Q92731 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 5/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CXCR4 P61073 1/20 0.38
THRB P10828 1/20 0.38
NFKB1 P19838 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
SCHEMBL6531977 0.91 TP53 (0.40) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6490167 0.90 DGAT1 (0.35) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6491821 0.88 CXCR4 (0.41) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6487340 0.87 ITGB1 (0.45) RAB9AMAPTKDM4EALDH1A1HSD17B10
SCHEMBL6491912 0.86 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6502201 0.85 TP53 (0.47) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6497772 0.83 ITGB1 (0.37) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6491525 0.82 ALDH1A1 (0.38) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6792277 0.81 NPC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL6492575 0.80 DGAT1 (0.39) KDM4ETP53LMNACXCR4KDR

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 RAB9A 4382/4885NPC1 100/4885SMN1; SMN2 1921/4885

“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.