SCHEMBL7101788

SCHEMBL7101788

CC(C)OC(=O)c1cn(Cc2ccc(C#N)cc2)cc1Cc1cccc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
ADRA1D P25100 1/20 0.38
KLKB1 P03952 2/20 0.38
KLK1 P06870 2/20 0.38
IDH1 O75874 1/20 0.38
GLA P06280 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GLS O94925 1/20 0.37
MAOB P27338 1/20 0.37
AR P10275 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
BRD4 O60885 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
FOLH1 Q04609 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
SCHEMBL7102332 0.96 KLKB1 (0.39) LMNAHTTADRA1DKLKB1KLK1
SCHEMBL7106232 0.89 CYP11B1 (0.43) LMNAHTTADRA1DKLKB1KLK1
SCHEMBL6170882 0.87 MAPT (0.45) LMNAADRA1DKLKB1KLK1IDH1
SCHEMBL7101493 0.84 CACNA1F (0.41) LMNAHTTADRA1DKLKB1KLK1
SCHEMBL6163869 0.83 POLB (0.45) LMNAADRA1DKLKB1KLK1CYP19A1
SCHEMBL6165876 0.83 MAPT (0.39) LMNAADRA1DKLKB1KLK1IDH1
SCHEMBL6163207 0.82 TSHR (0.46) LMNAIDH1GRIA2GRIN1GRIN2A
SCHEMBL7105719 0.81 POLB (0.47) ADRA1DKLKB1KLK1IDH1GRIA2
SCHEMBL7105122 0.81 KLKB1 (0.39) LMNAHTTADRA1DKLKB1KLK1
SCHEMBL7101526 0.80 CYP19A1 (0.43) HTTADRA1DKLKB1KLK1CYP19A1

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 LMNA 772/4885HTT 2814/4885ADRA1D 1745/4885

“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.