SCHEMBL6490283

SCHEMBL6490283

O=C(Nc1ccc2c(c1)CCN(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n1)C2)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.39
TNF P01375 5/20 0.38
NOD2 Q9HC29 5/20 0.38
KDR P35968 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
RAB9A P51151 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ACACB O00763 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
ABCB1 P08183 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
SCHEMBL6491067 0.85 HIF1A (0.45) SMN1; SMN2HIF1AEPAS1KDM4EKMT2A
SCHEMBL6502283 0.83 NOD1 (0.40) NOD1TNFNOD2KDRHIF1A
SCHEMBL6501870 0.80 SCN9A (0.42) NOD1TNFNOD2KDRHIF1A
SCHEMBL6489620 0.80 ABCB1 (0.51) NOD1TNFHIF1AEPAS1ABCB1
SCHEMBL6490877 0.79 MTTP (0.45) NOD1TNFNOD2KDRHIF1A
SCHEMBL6643995 0.79 NOD1 (0.41) NOD1TNFNOD2KDRSMN1; SMN2
SCHEMBL6489208 0.79 NOD1 (0.41) NOD1TNFNOD2SMN1; SMN2HIF1A
SCHEMBL6499211 0.78 MEN1 (0.42) NOD1TNFNOD2KDRSMN1; SMN2
SCHEMBL6489158 0.78 SMO (0.46) ABCB1
SCHEMBL6501845 0.78 NOD1 (0.47) NOD1TNFNOD2SMN1; SMN2HIF1A

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 NOD1 1072/4885TNF 2120/4885NOD2 904/4885

“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.