SCHEMBL6492808

SCHEMBL6492808

O=C(Nc1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1)C1=C(c2ccc(C(F)(F)F)cc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.46
EPAS1 Q99814 6/20 0.46
MAPKAPK2 P49137 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FAAH O00519 1/20 0.39
KCNH2 Q12809 1/20 0.39
MAP4K4 O95819 1/20 0.39
NTRK1 P04629 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
SCHEMBL6499900 0.89 DRD2 (0.46) NPC1RAB9AGFERDRD2DRD4
SCHEMBL6499289 0.87 SRPK1 (0.51) HIF1AEPAS1MAPKAPK2CA1CA2
SCHEMBL6490805 0.86 HIF1A (0.64) HIF1AEPAS1KDM4EALDH1A1KDM4C
SCHEMBL6491879 0.86 HIF1A (0.46) HIF1AEPAS1MAPKAPK2CA1CA2
SCHEMBL6489208 0.83 NOD1 (0.41) HIF1AEPAS1RAB9AKDM4E
SCHEMBL6490755 0.83 CA1 (0.51) HIF1AEPAS1MAPKAPK2CA1CA2
SCHEMBL6499822 0.82 MAPKAPK2 (0.46) HIF1AEPAS1MAPKAPK2CA1CA2
SCHEMBL6501481 0.82 CA1 (0.52) HIF1AEPAS1MAPKAPK2CA1CA2
SCHEMBL6490911 0.82 HIF1A (0.53) HIF1AEPAS1NPC1RAB9AKDM4E
SCHEMBL6490947 0.82 HIF1A (0.51) HIF1AEPAS1MAPKAPK2RAB9AKDM4E

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 HIF1A 2476/4885EPAS1 1386/4885MAPKAPK2 3154/4885

“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.