SCHEMBL6825848

SCHEMBL6825848

CN(C(=O)CNC(=O)c1cc(C(=N)N)ccc1N)C1CCC(CN)(c2ccccc2)CC1.Nc1ccc(Br)cc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CCR2 P41597 1/20 0.33
F10 P00742 6/20 0.33
KCNA3 P22001 2/20 0.33
MAPT P10636 2/20 0.33
PRSS1 P07477 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
F11 P03951 8/20 0.32
F7 P08709 6/20 0.32
DPP4 P27487 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
CTSS P25774 1/20 0.31

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
SCHEMBL1628215 0.93 F10 (0.37) CCR2F10KCNA3PRSS1DPP4
SCHEMBL1621771 0.85 KCNA3 (0.40) F10KCNA3PRSS1DPP4SMYD3
SCHEMBL1623568 0.81 F10 (0.50) ALDH1A1SMN1; SMN2LMNACCR2F10
SCHEMBL1624371 0.72 CFD (0.43) ALDH1A1SMN1; SMN2LMNACCR2KCNA3
SCHEMBL6972791 0.71 F10 (0.38) F10DPP4SMYD3
SCHEMBL5622900 0.68 PLAU (0.39) F10PRSS1DPP4
SCHEMBL3133676 0.66 PYGL (0.47) KDM4EALDH1A1L3MBTL1CCR2MAPT
Hydrochloric Acid SCHEMBL14483114 0.64 DPP4 (0.43) DPP4
SCHEMBL1624221 0.61 F10 (0.48) CCR2F10PRSS1
SCHEMBL3131999 0.60 PDE4A (0.42) KDM4EALDH1A1

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-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 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-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 KDM4E 2085/4885GLA 529/4885ALDH1A1 3629/4885

“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.