SCHEMBL6809819

SCHEMBL6809819

C[C@](N)(Cc1ccc2c(c1)CCN2C(=N)NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.47
▸ TP53 P04637 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.43
▸ IDO1 P14902 1/20 0.41

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
SCHEMBL6715035 0.82 MAPT (0.48) LMNATP53MAPTPOLBGAA
SCHEMBL6714690 0.71 GAA (0.53) LMNATP53MAPTPOLBGAA
SCHEMBL4629258 0.69 RAB9A (0.65) LMNATP53MAPTPOLBGAA
SCHEMBL11328055 0.67 LMNA (0.56) LMNATP53MAPTPOLB
SCHEMBL11322444 0.66 LMNA (0.55) LMNATP53MAPTPOLB
SCHEMBL29982408 0.65 CYP1A2 (0.62) MAPTPOLBGAA
SCHEMBL8939501 0.65 CYP1A2 (0.62) MAPTPOLBGAA
SCHEMBL29150793 0.65 TP53 (0.60) LMNATP53MAPTPOLB
SCHEMBL5784422 0.65 TP53 (0.63) LMNATP53MAPTPOLB
SCHEMBL9549034 0.65 TP53 (0.63) LMNATP53MAPTPOLB

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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension G.D. SEARLE & CO. 2004-05-27 — — 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-20040101523-A1 Renal-selective prodrugs for control of renal smpathetic nerve activity in the treatment of hypertension GLS, DBH, APEH LMNA 3420/4885TP53 4773/4885MAPT 1920/4885

“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.

Send feedback