SCHEMBL4865640

SCHEMBL4865640

O=C(NCc1ccccc1OCc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.54
MAPT P10636 2/20 0.54
TP53 P04637 3/20 0.53
LMNA P02545 3/20 0.52
POLB P06746 1/20 0.50
AVPR2 P30518 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DPP7 Q9UHL4 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4870063 0.88 GAA (0.49) THRBMAPTTP53LMNAPOLB
SCHEMBL4870828 0.85 THRB (0.55) THRBMAPTTP53LMNAPOLB
SCHEMBL4868521 0.85 TP53 (0.63) THRBMAPTTP53LMNA
SCHEMBL4867266 0.85 MEN1 (0.65) THRBMAPTTP53LMNAPOLB
SCHEMBL4865168 0.83 TP53 (0.71) THRBMAPTTP53LMNAPOLB
SCHEMBL4863168 0.83 MEN1 (0.71) THRBMAPTTP53LMNAPOLB
SCHEMBL4867719 0.82 THRB (0.52) THRBMAPTTP53LMNAPOLB
SCHEMBL4868464 0.82 THRB (0.52) THRBMAPTTP53LMNAPOLB
SCHEMBL4869658 0.79 POLB (0.54) THRBMAPTTP53LMNAPOLB
SCHEMBL4863710 0.79 POLB (0.74) THRBLMNAPOLBAVPR2

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 THRB 1930/4885MAPT 3398/4885TP53 4170/4885

“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.