SCHEMBL6395604

SCHEMBL6395604

CC(CCCNC(=S)NCCCC(C)(OC1CCCCO1)c1ccccc1)(OC1CCCCO1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.35
ALOX12 P18054 4/20 0.34
LMNA P02545 4/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
ADAMTS4 O75173 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
GLA P06280 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL6509284 0.81 CHRM2 (0.34) KMT2ALMNAALDH1A1MEN1
SCHEMBL3279481 0.80 MEN1 (0.39) KMT2AMEN1SLC6A3
SCHEMBL12092712 0.80 MEN1 (0.34) RAB9AKMT2ALMNANPC1MEN1
SCHEMBL6389852 0.80 KMT2A (0.37) SMN1; SMN2RAB9AKMT2ALMNAALDH1A1
SCHEMBL8197545 0.70 SLC6A3 (0.37) SMN1; SMN2KMT2ALMNAMEN1MAPK1
SCHEMBL6899822 0.69
SCHEMBL6390378 0.68 POLB (0.43) SMN1; SMN2RAB9AKMT2APOLBALOX12
SCHEMBL5689417 0.68 SLC6A3 (0.42) KMT2ALMNAMEN1SLC6A3
SCHEMBL5686699 0.68 SLC6A3 (0.45) KMT2AMEN1SLC6A3
SCHEMBL6391322 0.68 KMT2A (0.41) SMN1; SMN2RAB9AKMT2ALMNANPC1

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-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 US claimed
US-20050192347-A1 Urea and thiourea compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2005-09-01 US disclosed
WO-2005068420-A1 UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO 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 SMN1; SMN2 430/4885RAB9A 1028/4885KMT2A 4598/4885

“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.