SCHEMBL6388574

SCHEMBL6388574

CC(C)(CO)CCCN(CCc1ccccc1)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 3/20 0.41
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
RCE1 Q9Y256 1/20 0.40
AOC3 Q16853 2/20 0.40
MLYCD O95822 1/20 0.39
FDPS P14324 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL6390130 0.96 AOC3 (0.44) MEN1KMT2AALOX5POLBLMNA
SCHEMBL6396052 0.92 AOC3 (0.43) MEN1KMT2AALOX5POLBLMNA
SCHEMBL6396071 0.92 FDPS (0.43) ALOX5POLBLMNAALDH1A1HTT
SCHEMBL6514353 0.82 FFAR1 (0.33) TDP1
SCHEMBL1953503 0.81 TDP1 (0.61) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL1952933 0.79 ALOX5 (0.56) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL6389157 0.78 CYP2C19 (0.38) KMT2ALMNAALDH1A1HDAC3HDAC4
SCHEMBL2284133 0.77 L3MBTL1 (0.46) TDP1POLBALDH1A1HTTHDAC3
SCHEMBL1954648 0.77 SIGMAR1 (0.53) ALOX5LMNAHDAC3MAPK1ADRA1A
SCHEMBL8507639 0.77 KCNH2 (0.56) MEN1NPC1RAB9AKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 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 (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-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses PNLIP, FABP2, GPR119 MEN1 3991/4885NPC1 390/4885RAB9A 1028/4885

“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.