SCHEMBL7105601

SCHEMBL7105601

N#Cc1ccc(Cc2cn(Cc3cccc(C#N)c3)cc2C(=O)O)cc1.NC(=O)N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
FAAH O00519 1/20 0.39
ADRA1D P25100 1/20 0.38
KDM1A O60341 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
DPP7 Q9UHL4 2/20 0.35
CCR2 P41597 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34

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
SCHEMBL7101526 0.87 CYP19A1 (0.43) SIRT2SIRT1FAAHADRA1DCCR2
SCHEMBL6165929 0.82 ADRA1D (0.52) SIRT2SIRT1FAAHADRA1DKDM1A
SCHEMBL6167457 0.78 SNCA (0.37) SIRT2SIRT1FAAHKDM4EMEN1
SCHEMBL6164552 0.76 BRD4 (0.50) SIRT2SIRT1FAAHADRA1DJAK2
SCHEMBL6163869 0.74 POLB (0.45) ADRA1DKDM4ESMN1; SMN2CYP19A1CYP11B1
SCHEMBL7105089 0.74 KLKB1 (0.46) SIRT2SIRT1FAAHADRA1DCYP19A1
SCHEMBL7108337 0.73 BRD4 (0.40) SIRT2SIRT1FAAHADRA1DKDM1A
SCHEMBL7102332 0.73 KLKB1 (0.39) SIRT2SIRT1ADRA1DCYP19A1CYP11B1
SCHEMBL7105122 0.72 KLKB1 (0.39) SIRT2SIRT1ADRA1DSMN1; SMN2CYP19A1
SCHEMBL7101493 0.72 CACNA1F (0.41) SIRT2SIRT1ADRA1DKDM4ECYP19A1

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 SIRT2 1626/4885SIRT1 900/4885FAAH 132/4885

“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.