SCHEMBL3408154

SCHEMBL3408154

CCc1cccc(CC)c1NC(=O)NC(Nc1ccccc1-c1ccccc1)C1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.48
ALDH1A1 P00352 7/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ANPEP P15144 1/20 0.42
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM3 P20309 6/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL3407725 0.85 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3409553 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3409472 0.81 PYGL (0.42) PYGLALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3406377 0.78 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3412550 0.77 NMBR (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3407686 0.77 NMBR (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3404066 0.71 NMBR (0.41) ALDH1A1KMT2AHTTMAPTKDM4E
SCHEMBL3409844 0.71 NMBR (0.42) ALDH1A1KMT2AHTTMAPTKDM4E
SCHEMBL3408151 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPT
SCHEMBL3405936 0.70 NMBR (0.47) ALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197838-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-23 EP claimed
WO-2009030746-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO claimed
EP-2197838-B1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-10-23 EP disclosed
US-8394990-B2 Phenylurea inhibitors of the enzyme SOAT-1 and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-03-12 US disclosed
US-20100197735-A1 NOVEL PHENYLUREA INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-08-05 US disclosed
EP-2197838-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-23 EP disclosed
WO-2009030746-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 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-20100197735-A1 NOVEL PHENYLUREA INHIBITORS OF THE ENZYME SOAT-1 AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 PYGL 941/4885ALDH1A1 58/4885CYP3A4 1829/4885

“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.