SCHEMBL6501870

SCHEMBL6501870

O=C(Nc1ccc2c(c1)CCN(Cc1ncc[nH]1)C2)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ACACB O00763 1/20 0.40
KDR P35968 2/20 0.39
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 0.39
SLC2A1 P11166 1/20 0.38
NOD1 Q9Y239 3/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
TNF P01375 2/20 0.38
NOD2 Q9HC29 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CD38 P28907 1/20 0.38
PLAU P00749 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
PRKAA2 P54646 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
SCHEMBL6489208 0.85 NOD1 (0.41) ACACBHIF1AEPAS1NOD1ITGB3
SCHEMBL690014 0.85 SMO (0.52) SCN9AALDH1A1KDRKDM4ELMNA
SCHEMBL6498924 0.85 SRPK1 (0.44) ACACBHIF1AEPAS1SLC2A1NOD1
SCHEMBL6502283 0.85 NOD1 (0.40) ACACBKDRHIF1AEPAS1NOD1
SCHEMBL6491879 0.85 HIF1A (0.46) ALDH1A1KDRHIF1AEPAS1SLC2A1
SCHEMBL6490877 0.84 MTTP (0.45) ACACBKDRHIF1AEPAS1NOD1
SCHEMBL6497091 0.81 PRKAA2 (0.52) ACACBHIF1AEPAS1NOD1TNF
SCHEMBL6490283 0.80 NOD1 (0.39) ACACBKDRHIF1AEPAS1NOD1
SCHEMBL6489158 0.80 SMO (0.46)
SCHEMBL6966580 0.80 SCN9A (0.43) SCN9AALDH1A1KDR

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 SCN9A 2451/4885ALDH1A1 1603/4885ACACB 108/4885

“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.