SCHEMBL4870063

SCHEMBL4870063

S=C(NCc1ccccc1OCc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
AVPR2 P30518 1/20 0.45
MAPT P10636 7/20 0.45
THRB P10828 2/20 0.45
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP7 Q9UHL4 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
KDM4E B2RXH2 2/20 0.42
BLM P54132 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL4867601 0.88 MAPT (0.50) GAAAVPR2MAPTMEN1KMT2A
SCHEMBL4865640 0.88 THRB (0.54) AVPR2MAPTTHRBMEN1KMT2A
SCHEMBL4866044 0.85 GAA (0.48) GAAAVPR2MAPTTHRBMEN1
SCHEMBL4869697 0.83 TP53 (0.58) GAAAVPR2MAPTTHRBMEN1
SCHEMBL4872532 0.82 THRB (0.46) GAAAVPR2MAPTTHRBMEN1
SCHEMBL4867619 0.78 MEN1 (0.64) GAAAVPR2MAPTMEN1KMT2A
SCHEMBL4869536 0.75 KMT2A (0.59) GAAAVPR2MAPTMEN1KMT2A
SCHEMBL4870087 0.75 MAPT (0.44) GAAAVPR2MAPTTHRBMEN1
SCHEMBL4868428 0.75 THRB (0.64) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4863168 0.74 MEN1 (0.71) GAAMAPTTHRBMEN1KMT2A

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 GAA 1965/4885AVPR2 124/4885MAPT 3398/4885

“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.