SCHEMBL4870087

SCHEMBL4870087

CN(c1ccccc1)c1ccccc1CNC(=S)N1CCCCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
AVPR2 P30518 5/20 0.43
AVPR1A P37288 1/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL4867478 0.88 POLB (0.52) MAPTPOLBAVPR2AVPR1ATP53
SCHEMBL4869697 0.78 TP53 (0.58) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4866044 0.77 GAA (0.48) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4870063 0.75 GAA (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4869536 0.73 KMT2A (0.59) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4867619 0.73 MEN1 (0.64) MAPTMEN1KMT2AALDH1A1AVPR2
SCHEMBL4868428 0.73 THRB (0.64) MAPTMEN1KMT2AALDH1A1TP53
SCHEMBL173546 0.72 GAA (0.60) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL4863095 0.72 MEN1 (0.53) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL4871870 0.71 MAPT (0.57) MAPTMEN1KMT2AALDH1A1AVPR1A

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 MAPT 3398/4885MEN1 651/4885KMT2A 2577/4885

“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.