SCHEMBL4868464

SCHEMBL4868464

O=C(NCc1ccccc1OC(F)(F)F)N1CCCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.52
MAPT P10636 1/20 0.52
EPHX2 P34913 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP2J2 P51589 3/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
TP53 P04637 1/20 0.47
AVPR2 P30518 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL4867266 0.86 MEN1 (0.65) THRBMAPTPOLBLMNAMEN1
SCHEMBL4867719 0.85 THRB (0.52) THRBMAPTPOLBLMNAMEN1
SCHEMBL4870828 0.84 THRB (0.55) THRBMAPTPOLBLMNAMEN1
SCHEMBL4867174 0.84 THRB (0.53) THRBMAPTPOLBLMNAMEN1
SCHEMBL4865640 0.82 THRB (0.54) THRBMAPTPOLBLMNAMEN1
SCHEMBL4870693 0.82 AVPR2 (0.57) THRBMAPTPOLBLMNAMEN1
SCHEMBL4871918 0.81 LMNA (0.52) THRBMAPTPOLBLMNAPRMT5
SCHEMBL4863710 0.80 POLB (0.74) THRBPOLBLMNAAVPR2
SCHEMBL4870694 0.80 POLB (0.59) THRBMAPTPOLBLMNAPRMT5
SCHEMBL4867183 0.80 THRB (0.74) THRBMAPTPOLBLMNAPRMT5

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 3398/4885EPHX2 2700/4885

“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.