SCHEMBL3404247

SCHEMBL3404247

NCC1(SCc2ccccc2)CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
PRMT1 Q99873 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2654367 0.83 ALDH1A1 (0.36) DPP4ALDH1A1HTTMAOAMAOB
SCHEMBL2654119 0.83 MAOA (0.35) DPP4MAOAMAOBTAAR1CYP1A2
SCHEMBL2966074 0.79 MEN1 (0.35) DPP4ALDH1A1MAPK1MEN1HTT
SCHEMBL11619698 0.79 KMT2A (0.42) SLC6A4ALDH1A1MAPTMAPK1MEN1
SCHEMBL7323247 0.78 ALDH1A1 (0.36) SLC6A4ALDH1A1MAPTMAPK1MEN1
SCHEMBL1983726 0.78 CYP2C19 (0.41) ALDH1A1MAPK1MEN1KMT2ACYP3A4
SCHEMBL7310502 0.76 CYP2C19 (0.42) ALDH1A1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL3407223 0.76 KMT2A (0.35) ALDH1A1MAPTMAPK1MEN1HTT
SCHEMBL29093049 0.73 IDO1 (0.41) ALDH1A1MAPTMAPK1MEN1HTT
SCHEMBL23341266 0.72 IDO1 (0.39) ALDH1A1MAOAMAOBIDO1NOS3

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 5 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 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
EP-2200979-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-30 EP disclosed
WO-2009030752-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, 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-20100222431-A1 NOVEL PHENYLUREA INHIBITORS OF THE SOAT-1 ENZYME AND PHARMACEUTICAL/COSMETIC COMPOSITIONS COMPRISED THEREOF SOAT1, SOAT2, ACAT2 DPP4 1636/4885SLC6A2 2344/4885SLC6A4 2716/4885

“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.