SCHEMBL4400563

SCHEMBL4400563

COc1ccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CC(C)C)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.69
C5 P01031 1/20 0.53
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 3/20 0.48
MEN1 O00255 2/20 0.48
HPGD P15428 2/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 1/20 0.48
PLIN1 O60240 1/20 0.48
GSTO1 P78417 1/20 0.48
PLIN5 Q00G26 1/20 0.48
ABHD5 Q8WTS1 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.45

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
Hydrochloric Acid SCHEMBL4395794 0.88 CASR (0.65) CASRC5ALDH1A1MAPTSMN1; SMN2
SCHEMBL4394346 0.85 CASR (0.67) CASRALDH1A1MAPTNPC1RAB9A
SCHEMBL3638348 0.85 CASR (0.76) CASRALDH1A1MAPTNPC1RAB9A
SCHEMBL4396887 0.82 CASR (0.65) CASRALDH1A1
SCHEMBL4390118 0.82 CASR (1.00) CASRALDH1A1RAB9AHPGD
SCHEMBL4396948 0.82 CASR (0.64) CASRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4399207 0.80 CASR (0.82) CASRALDH1A1MAPTNPC1RAB9A
SCHEMBL926930 0.80 CASR (0.77) CASR
SCHEMBL4400818 0.79 CASR (0.61) CASRALDH1A1MAPTNPC1RAB9A
SCHEMBL4397686 0.78 CASR (0.60) CASRNPC1RAB9ALMNANPSR1

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 2192/4885C5 236/4885ALDH1A1 3828/4885
US-20070173502-A1 Novel urea derivatives, method for preparing same, use thereof as medicines, pharmaceutical compositions and novel use RPS2, NOX5, PRMT5 CASR 2483/4885C5 154/4885ALDH1A1 3190/4885

“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.