SCHEMBL3414059

SCHEMBL3414059

CC(C)c1cccc(C(C)C)c1NC(=O)NC(Sc1ccccc1-c1ccccc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NMBR P28336 3/20 0.47
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NTRK1 P04629 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 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
SCHEMBL3414001 0.99 NMBR (0.45) NMBRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3410558 0.85 NMBR (0.48) NMBRLMNAKMT2ATAS1R3TAS1R1
SCHEMBL3412557 0.79 NLRP3 (0.46) NMBRKMT2A
SCHEMBL3414079 0.79 NMBR (0.49) NMBRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3409553 0.79 ALDH1A1 (0.47) NMBRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3404762 0.78 NMBR (0.49) NMBR
SCHEMBL3407725 0.78 ALDH1A1 (0.48) NMBRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3409925 0.76 KMT2A (0.36) NMBRALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL3408378 0.73 NMBR (0.47) NMBRLMNAKMT2A
SCHEMBL3412535 0.72 NMBR (0.48) NMBRLMNAKMT2ATAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200979-B1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-12-12 EP claimed
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US claimed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 US claimed
EP-2200979-B1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2012-12-12 EP disclosed
US-8283378-B2 Phenylurea inhibitors of the SOAT-1 enzyme and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-09 US disclosed
US-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-09-02 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-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 NMBR 4779/4885ALDH1A1 58/4885CYP3A4 1754/4885

“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.