SCHEMBL7108337

SCHEMBL7108337

N#Cc1ccc(Cc2cn(Cc3cccc(C#N)c3)cc2C(=O)OCC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
KDM1A O60341 1/20 0.39
ADRA1D P25100 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MGLL Q99685 1/20 0.37
CCR3 P51677 3/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
MLNR O43193 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
FAAH O00519 1/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
HSD11B1 P28845 1/20 0.35
CHRM4 P08173 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35

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
SCHEMBL6163869 0.87 POLB (0.45) ADRA1DCYP19A1CYP11B1CYP11B2KLKB1
SCHEMBL7105122 0.85 KLKB1 (0.39) BRD4SIRT2SIRT1ADRA1DCYP19A1
SCHEMBL7101493 0.85 CACNA1F (0.41) BRD4SIRT2SIRT1ADRA1DCYP19A1
SCHEMBL6170882 0.83 MAPT (0.45) ADRA1DKLKB1KLK1
SCHEMBL6164249 0.83 POLB (0.40) BRD4ADRA1DCYP19A1CYP11B1CYP11B2
SCHEMBL7101526 0.82 CYP19A1 (0.43) BRD4SIRT2SIRT1ADRA1DCYP19A1
SCHEMBL7102332 0.82 KLKB1 (0.39) BRD4SIRT2SIRT1ADRA1DCYP19A1
SCHEMBL7108857 0.82 POLB (0.46) ADRA1DCYP19A1CYP11B1CYP11B2KLKB1
SCHEMBL7105719 0.82 POLB (0.47) BRD4ADRA1DCYP19A1CYP11B1CYP11B2
SCHEMBL6165929 0.81 ADRA1D (0.52) BRD4SIRT2SIRT1KDM1AADRA1D

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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI BRD4 2818/4885SIRT2 1626/4885SIRT1 900/4885

“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.