SCHEMBL4397353

SCHEMBL4397353

C=C(CN(C)CCNC)CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 14/20 0.56
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
ALPL P05186 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 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
SCHEMBL4401048 0.95 CASR (0.54) CASRALDH1A1MEN1MAPTKMT2A
SCHEMBL4398873 0.89 CASR (0.64) CASR
SCHEMBL4392923 0.85 CASR (0.48) CASRALDH1A1MEN1MAPTKMT2A
SCHEMBL4393803 0.84 CASR (0.62) CASR
SCHEMBL4401078 0.83 CASR (0.47) CASRALDH1A1KDM4EPOLB
SCHEMBL4562949 0.83 CASR (0.44) CASR
SCHEMBL5558776 0.83 CCR5 (0.47) CASRMAPTKMT2ALMNAALOX12
SCHEMBL4393805 0.79 CASR (0.62) CASR
SCHEMBL6988739 0.79 CASR (0.62) CASR
SCHEMBL4394374 0.78 CASR (0.53) CASRALDH1A1MEN1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US claimed
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2007-07-26 US claimed

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-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885ALDH1A1 3190/4885MEN1 2571/4885

“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.