SCHEMBL6394181

SCHEMBL6394181

CC(C)(CCNC(=S)NCCCNC(=S)NCCC(C)(C)C(=O)NC#N)C(=O)NC#N

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX12 P18054 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
Cyanamide SCHEMBL6388908 0.85 GUCY1A1 (0.32)
SCHEMBL6394178 0.84 CA14 (0.31)
SCHEMBL6389106 0.76 ACACB (0.43) EPHX2NPC1ALDH1A1CYP1A2CYP3A4
SCHEMBL8744579 0.76 ACLY (0.38) CYP3A4
SCHEMBL6387917 0.73 ALDH1A1 (0.39) EPHX2NPC1ALDH1A1ALOX12RAB9A
SCHEMBL12094533 0.73 ACACB (0.49)
Cyanamide SCHEMBL6392049 0.73 FFAR1 (0.37) EPHX2
SCHEMBL10267247 0.71
SCHEMBL12092684 0.71 ACACB (0.54)
SCHEMBL2737118 0.71 ACACB (0.42)

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
WO-2005068420-A1 UREA AND THIOUREA COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO claimed
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 EPHX2 3605/4885NPC1 390/4885ALDH1A1 3862/4885

“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.