SCHEMBL4866044

SCHEMBL4866044

S=C(NCc1ccccc1Oc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.48
MAPT P10636 5/20 0.47
THRB P10828 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.45
MGLL Q99685 1/20 0.44
AVPR2 P30518 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 1/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL4870828 0.87 THRB (0.55) MAPTTHRBMEN1KMT2AALDH1A1
SCHEMBL4870063 0.85 GAA (0.49) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4869697 0.80 TP53 (0.58) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4867619 0.77 MEN1 (0.64) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4870087 0.77 MAPT (0.44) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4868428 0.76 THRB (0.64) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4867601 0.76 MAPT (0.50) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4863095 0.75 MEN1 (0.53) GAAMAPTTHRBMEN1KMT2A
SCHEMBL4869536 0.75 KMT2A (0.59) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL4872532 0.74 THRB (0.46) 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 1965/4885MAPT 3398/4885THRB 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.