SCHEMBL6496056

SCHEMBL6496056

O=C(Nc1ccc(N2CCNCC2)cc1)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 9/20 0.66
▸ MAOB P27338 1/20 0.49
▸ IRAK4 Q9NWZ3 1/20 0.48
▸ ILK Q13418 1/20 0.42
▸ TNIK Q9UKE5 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ P2RY14 Q15391 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41

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
SCHEMBL6497061 0.86 MAPKAPK2 (0.50) MAPKAPK2LMNAMAPTKCNH2HIF1A
SCHEMBL6499989 0.86 NPC1 (0.53) MAPKAPK2IRAK4LMNAMAPTNPC1
SCHEMBL6491337 0.85 MAPT (0.55) MAPKAPK2LMNAMAPTMAPK1HTT
SCHEMBL6490755 0.84 CA1 (0.51) MAPKAPK2LMNAMAPTTP53KCNH2
SCHEMBL6501481 0.83 CA1 (0.52) MAPKAPK2LMNAMAPTTP53KCNH2
SCHEMBL6680389 0.83 MAPKAPK2 (0.46) MAPKAPK2LMNAMAPTNPC1TP53
SCHEMBL6490778 0.82 MAPKAPK2 (0.46) MAPKAPK2LMNAMAPTKCNH2HIF1A
SCHEMBL6490805 0.82 HIF1A (0.64) LMNAMAPTMAPK1SMN1; SMN2HIF1A
SCHEMBL6501892 0.82 TRPV1 (0.59) MAPKAPK2LMNAMAPTNPC1HTT
SCHEMBL6496929 0.82 MAPT (0.57) MAPKAPK2LMNAMAPTNPC1TP53

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 MAPKAPK2 3154/4885MAOB 46/4885IRAK4 2963/4885

“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.

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