SCHEMBL3407223

SCHEMBL3407223

O=[N+]([O-])CC1(SCc2ccccc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
CPA1 P15085 3/20 0.33
GSTP1 P09211 1/20 0.32
GSTM2 P28161 1/20 0.32
KDM4E B2RXH2 1/20 0.32
IDO1 P14902 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL2654513 0.85 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2655573 0.85 L3MBTL1 (0.34) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL2977210 0.82 MEN1 (0.34) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL27905405 0.81 MAPT (0.36) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7323247 0.78 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL3404247 0.76 DPP4 (0.43) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1983726 0.75 CYP2C19 (0.41) KMT2AMEN1ALDH1A1MAPK1CYP3A4
SCHEMBL7310502 0.73 CYP2C19 (0.42) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL11619698 0.73 KMT2A (0.42) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL7311119 0.72 BCL9 (0.43) ALDH1A1MAPTLMNAHTTCYP2C9

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 KMT2A 1232/4885MEN1 4236/4885ALDH1A1 58/4885

“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.