SCHEMBL7101781

SCHEMBL7101781

N#Cc1cccc(CC2CC2(C(N)=O)c2ccccc2C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
EPHX1 P07099 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
GLMN Q92990 1/20 0.39
KCNH2 Q12809 1/20 0.39
TRPA1 O75762 1/20 0.37
MGLL Q99685 1/20 0.36
LMNA P02545 1/20 0.36
MAPK8 P45983 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CCR3 P51677 2/20 0.36
MEP1A Q16819 1/20 0.36
MEP1B Q16820 1/20 0.36
HSD11B1 P28845 1/20 0.35
FAAH O00519 1/20 0.35
CTSB P07858 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
SCHEMBL6163785 0.68 EPHX1 (0.44) SIRT2SIRT1EPHX1DPP8DPP9
SCHEMBL2502943 0.65 CCR3 (0.44) EPHX1DPP8DPP9KCNH2MGLL
SCHEMBL6714339 0.65 MAPK8 (0.56) SIRT2SIRT1EPHX1LMNAMAPK8
SCHEMBL30489963 0.65 MAPK8 (0.56) SIRT2SIRT1EPHX1LMNAMAPK8
Hydrochloric Acid SCHEMBL14053586 0.65 CCR3 (0.43) EPHX1DPP8DPP9KCNH2MGLL
SCHEMBL7423776 0.64 EPHX1 (0.41) SIRT2SIRT1EPHX1KCNH2LMNA
SCHEMBL934610 0.63 FFAR1 (0.55) SIRT2SIRT1EPHX1LMNAMAPK8
SCHEMBL2673218 0.62 GLA (0.42) TRPA1MEP1AMEP1BCTSB
SCHEMBL31494619 0.62 GRM5 (0.42) SIRT2SIRT1EPHX1TRPA1MGLL
SCHEMBL12500258 0.62 FFAR1 (0.50) SIRT2SIRT1EPHX1LMNAMAPK8

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 900/4885EPHX1 797/4885

“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.