SCHEMBL7101526

SCHEMBL7101526

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
CCR2 P41597 1/20 0.43
ADRA1D P25100 1/20 0.43
FAAH O00519 1/20 0.41
FFAR1 O14842 2/20 0.40
HTT P42858 1/20 0.40
FEN1 P39748 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FOLH1 Q04609 1/20 0.40
KLKB1 P03952 1/20 0.39
KLK1 P06870 1/20 0.39
BRS3 P32247 1/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 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
SCHEMBL6165929 0.90 ADRA1D (0.52) CYP19A1CYP11B1CYP11B2CCR2ADRA1D
SCHEMBL6164552 0.88 BRD4 (0.50) CYP19A1CYP11B1CYP11B2ADRA1DFAAH
SCHEMBL7105601 0.87 SIRT2 (0.40) CYP19A1CYP11B1CYP11B2CCR2ADRA1D
SCHEMBL7105089 0.85 KLKB1 (0.46) CYP19A1CYP11B1CYP11B2ADRA1DFAAH
SCHEMBL6163869 0.85 POLB (0.45) CYP19A1CYP11B1CYP11B2ADRA1DKLKB1
SCHEMBL7102332 0.84 KLKB1 (0.39) CYP19A1CYP11B1CYP11B2ADRA1DFFAR1
SCHEMBL7105122 0.83 KLKB1 (0.39) CYP19A1CYP11B1CYP11B2ADRA1DFFAR1
SCHEMBL7108337 0.82 BRD4 (0.40) CYP19A1CYP11B1CYP11B2ADRA1DFAAH
SCHEMBL7101493 0.82 CACNA1F (0.41) CYP19A1CYP11B1CYP11B2ADRA1DHTT
SCHEMBL7106232 0.82 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2ADRA1DHTT

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 CYP19A1 260/4885CYP11B1 556/4885CYP11B2 617/4885

“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.