SCHEMBL6501876

SCHEMBL6501876

Nc1cccc(CCN2CCN(c3ccc(NC(=O)C4=C(c5ccc(C(F)(F)F)cc5)CCCC4)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
LCK P06239 2/20 0.41
HCK P08631 2/20 0.41
KDR P35968 2/20 0.41
SRC P12931 1/20 0.41
BTK Q06187 2/20 0.40
KCNH2 Q12809 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
CA9 Q16790 1/20 0.39
HIF1A Q16665 2/20 0.39
EPAS1 Q99814 2/20 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
SCHEMBL6500969 0.88 CCNC (0.45) CA2LCKHCKKDRSRC
SCHEMBL6503264 0.87 HTR1A (0.51) CA1CA2CA7KCNH2KDM4E
SCHEMBL6490132 0.86 LCK (0.39) CA1CA2CA7LCKHCK
SCHEMBL6491821 0.85 CXCR4 (0.41) KDRKDM4E
SCHEMBL6498905 0.85 ABCB1 (0.42)
SCHEMBL6488407 0.82 LMNA (0.47) KDRKDM4EHIF1A
SCHEMBL6501432 0.81 ITGB1 (0.42) EPHX2
SCHEMBL6492454 0.81 MAPT (0.41) CA1CA2CA7KDM4EALDH1A1
SCHEMBL6501481 0.81 CA1 (0.52) CA1CA2CA7LCKHCK
SCHEMBL6689632 0.80 MAPT (0.44) KCNH2SLC6A4KDM4EALDH1A1HTR1A

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 1 patent. 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

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 CA1 2761/4885CA2 1990/4885CA7 3537/4885

“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.