SCHEMBL3407725

SCHEMBL3407725

CC(C)c1cccc(C(C)C)c1NC(=O)NC(Nc1ccccc1-c1ccccc1)C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NMBR P28336 3/20 0.46
LPAR1 Q92633 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NTRK1 P04629 1/20 0.40

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
SCHEMBL3409553 0.99 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3406377 0.92 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3412550 0.91 NMBR (0.43) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3407686 0.90 NMBR (0.42) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3408427 0.90 NMBR (0.44) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3408154 0.85 PYGL (0.48) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3404066 0.85 NMBR (0.41) ALDH1A1NMBRLPAR1TAS1R3TAS1R1
SCHEMBL3408378 0.85 NMBR (0.47) NMBRLMNAKMT2A
SCHEMBL3405936 0.85 NMBR (0.47) ALDH1A1NMBRLPAR1TAS1R3TAS1R1
SCHEMBL3409844 0.84 NMBR (0.42) ALDH1A1NMBRLPAR1TAS1R3TAS1R1

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 ALDH1A1 58/4885CYP3A4 1829/4885CYP2D6 1452/4885

“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.