SCHEMBL4869697

SCHEMBL4869697

S=C(NCc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.58
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPK1 P28482 1/20 0.52
LMNA P02545 3/20 0.51
AVPR2 P30518 2/20 0.50
MGLL Q99685 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 3/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.48

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
SCHEMBL4869536 0.91 KMT2A (0.59) TP53MAPTTDP1MEN1KMT2A
SCHEMBL4867619 0.91 MEN1 (0.64) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL4868428 0.88 THRB (0.64) TP53MAPTTDP1MEN1KMT2A
SCHEMBL4865168 0.84 TP53 (0.71) TP53MAPTLMNAAVPR2POLB
SCHEMBL4870063 0.83 GAA (0.49) TP53MAPTTDP1MEN1KMT2A
SCHEMBL4866044 0.80 GAA (0.48) TP53MAPTTDP1MEN1KMT2A
SCHEMBL4867047 0.79 MEN1 (0.73) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL173546 0.79 GAA (0.60) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL4871870 0.79 MAPT (0.57) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL4870087 0.78 MAPT (0.44) TP53MAPTMEN1KMT2AALDH1A1

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 TP53 4170/4885MAPT 3398/4885TDP1 3784/4885

“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.