SCHEMBL4394374

SCHEMBL4394374

C=C(CN(CCC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(OC)c1)CN(C(=O)Nc1cccc(OC)c1)[C@@H]1CCCC[C@H]1N

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 13/20 0.53
TP53 P04637 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ALPL P05186 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4393261 0.91 CASR (0.43) CASRMAPTUBE2MDCUN1D1ALDH1A1
SCHEMBL4396974 0.91 CASR (0.43) CASRMAPTUBE2MDCUN1D1ALDH1A1
SCHEMBL6700301 0.88 CASR (0.60) CASRUBE2MDCUN1D1
SCHEMBL4391795 0.88 CASR (0.60) CASRUBE2MDCUN1D1
SCHEMBL4393788 0.85 CCR5 (0.47) CASRUBE2MDCUN1D1ALDH1A1
SCHEMBL4400561 0.85 CCR5 (0.47) CASRUBE2MDCUN1D1ALDH1A1
SCHEMBL4393251 0.80 CASR (0.40) CASRMAPTUBE2MDCUN1D1ALDH1A1
SCHEMBL4392169 0.80 CASR (0.40) CASRMAPTUBE2MDCUN1D1ALDH1A1
SCHEMBL4401034 0.80 CCR5 (0.36) CASRMEN1KMT2A
SCHEMBL4396578 0.80 CCR5 (0.36) CASRMEN1KMT2A

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-7605261-B2 Urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use AMGEN INC. (US) 2009-10-20 US disclosed
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 disclosed
US-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use PROSKELIA SAS (FR) 2004-03-18 US 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 (2 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-20040053925-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use HRH4, HRH2, RPS2 CASR 2192/4885TP53 4805/4885POLB 2916/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885TP53 4464/4885POLB 2623/4885

“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.