SCHEMBL4870780

SCHEMBL4870780

O=C(NCc1cccc2ccccc12)N1CCCCc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
TP53 P04637 2/20 0.55
THRB P10828 4/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 1/20 0.53
BCHE P06276 1/20 0.53
PRMT5 O14744 1/20 0.50
WDR77 Q9BQA1 1/20 0.50

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
SCHEMBL4863710 0.83 POLB (0.74) LMNATHRBPOLB
SCHEMBL4870693 0.83 AVPR2 (0.57) LMNATP53THRBPOLBMAPT
SCHEMBL4867183 0.83 THRB (0.74) LMNATP53THRBPOLBMAPT
SCHEMBL4870694 0.83 POLB (0.59) LMNATP53THRBPOLBMAPT
SCHEMBL4871140 0.83 ATM (0.56) LMNATP53THRBPOLBMAPT
SCHEMBL4865168 0.83 TP53 (0.71) LMNATP53THRBPOLBMAPT
SCHEMBL4869658 0.81 POLB (0.54) LMNATP53THRBPOLBMAPT
SCHEMBL4868734 0.81 TP53 (0.62) LMNATP53THRBPOLBMAPT
SCHEMBL4867174 0.81 THRB (0.53) LMNATP53THRBPOLBMAPT
SCHEMBL4867266 0.81 MEN1 (0.65) LMNATP53THRBPOLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 LMNA 2162/4885TP53 4170/4885THRB 1930/4885

“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.