SCHEMBL6502283

SCHEMBL6502283

O=C(Nc1ccc2c(c1)CCN(Cc1nc[nH]n1)C2)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.40
TNF P01375 3/20 0.40
NOD2 Q9HC29 3/20 0.40
ACACB O00763 1/20 0.40
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
APOB P04114 1/20 0.38
MTTP P55157 1/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
PLAU P00749 1/20 0.38
SNCA P37840 1/20 0.37
ABCB1 P08183 2/20 0.37
NPC1 O15118 1/20 0.37
PRKAA2 P54646 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL6498924 0.85 SRPK1 (0.44) NOD1TNFNOD2ACACBHIF1A
SCHEMBL6501870 0.85 SCN9A (0.42) NOD1TNFNOD2ACACBHIF1A
SCHEMBL690395 0.85 MTTP (0.51) APOBMTTPKDR
SCHEMBL6499822 0.84 MAPKAPK2 (0.46) HIF1AEPAS1KDR
SCHEMBL6490877 0.83 MTTP (0.45) NOD1TNFNOD2ACACBHIF1A
SCHEMBL6489208 0.83 NOD1 (0.41) NOD1TNFNOD2ACACBHIF1A
SCHEMBL6490283 0.83 NOD1 (0.39) NOD1TNFNOD2ACACBHIF1A
SCHEMBL6497091 0.81 PRKAA2 (0.52) NOD1TNFNOD2ACACBHIF1A
SCHEMBL6491162 0.81 NOD1 (0.48) NOD1TNFNOD2ACACBHIF1A
SCHEMBL6501845 0.81 NOD1 (0.47) NOD1TNFNOD2ACACBHIF1A

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.