SCHEMBL6490778

SCHEMBL6490778

C=CCN1CCN(c2ccc(NC(=O)C3=C(c4ccc(C(F)(F)F)cc4)CCCC3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.46
CA2 P00918 3/20 0.45
CA1 P00915 2/20 0.45
CA7 P43166 2/20 0.45
HIF1A Q16665 4/20 0.42
EPAS1 Q99814 4/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
AR P10275 1/20 0.40
ALDH1A1 P00352 2/20 0.39
DEGS1 O15121 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SLC2A1 P11166 1/20 0.39
LCK P06239 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL6502650 0.88 MAPT (0.47) CA2CA1CA7LMNAMAPT
SCHEMBL6490755 0.87 CA1 (0.51) MAPKAPK2CA2CA1CA7HIF1A
SCHEMBL6501481 0.86 CA1 (0.52) MAPKAPK2CA2CA1CA7HIF1A
SCHEMBL6490805 0.84 HIF1A (0.64) HIF1AEPAS1LMNAMAPTALDH1A1
SCHEMBL6496056 0.82 MAPKAPK2 (0.66) MAPKAPK2HIF1AEPAS1KCNH2LMNA
SCHEMBL6492808 0.81 HIF1A (0.46) MAPKAPK2CA2CA1CA7HIF1A
SCHEMBL6491879 0.81 HIF1A (0.46) MAPKAPK2CA2CA1CA7HIF1A
SCHEMBL6499822 0.81 MAPKAPK2 (0.46) MAPKAPK2CA2CA1CA7HIF1A
SCHEMBL6499289 0.81 SRPK1 (0.51) MAPKAPK2CA2CA1CA7HIF1A
SCHEMBL6680389 0.80 MAPKAPK2 (0.46) MAPKAPK2CA2CA1CA7KCNH2

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 3154/4885CA2 1990/4885CA1 2761/4885

“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.