SCHEMBL3174401

SCHEMBL3174401

O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
APOBEC3G Q9HC16 2/20 0.46
GFER P55789 2/20 0.46
KDM4E B2RXH2 3/20 0.45
IDO1 P14902 1/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
PKM P14618 1/20 0.44
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TYMP P19971 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL17446136 0.83 NPC1 (0.54) ALDH1A1APOBEC3GGFERKDM4EIDO1
SCHEMBL3180401 0.82 MAPT (0.49) ALDH1A1APOBEC3GGFERKDM4EMAPT
SCHEMBL3159588 0.73 ALDH1A1 (0.59) ALDH1A1GFERKDM4EMAPTGAA
SCHEMBL3166413 0.72 MAPT (0.50) ALDH1A1APOBEC3GGFERKDM4EMAPT
SCHEMBL6738366 0.71 TSHR (0.76) ALDH1A1IDO1MAPTGAAPKM
SCHEMBL11392466 0.69 TSHR (0.73) ALDH1A1IDO1MAPTGAAPKM
SCHEMBL11392461 0.69 TSHR (0.73) ALDH1A1IDO1MAPTGAAPKM
Iodide SCHEMBL30804629 0.69 TSHR (0.73) ALDH1A1IDO1MAPTGAAPKM
SCHEMBL28471286 0.69 TSHR (0.73) ALDH1A1IDO1MAPTGAAPKM
Iodide SCHEMBL28598177 0.69 TSHR (0.73) ALDH1A1IDO1MAPTGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-01-14 US claimed
US-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-01-14 US disclosed
EP-2041095-A1 NOVEL TYROSINASE INHIBITORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2009-04-01 EP disclosed
WO-2008006824-A1 NOVEL TYROSINASE INHIBITORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 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-20100010049-A1 Novel Tyrosinase inhibitors and pharmaceutical/cosmetic applications thereof TYR, MITF, MAOA ALDH1A1 69/4885APOBEC3G 1529/4885GFER 2504/4885

“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.