SCHEMBL4798417

SCHEMBL4798417

CCC(n1c(=NN)sc2cc(OC)ccc21)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 12/20 0.43
MAPT P10636 6/20 0.43
HPGD P15428 9/20 0.41
KDM4E B2RXH2 9/20 0.41
GAA P10253 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CA2 P00918 1/20 0.36

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
SCHEMBL4796779 0.86 LMNA (0.42) NPSR1LMNASMN1; SMN2PKMMAPT
SCHEMBL4621389 0.75 ALDH1A1 (0.46) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL4614265 0.75 ALDH1A1 (0.46) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL6268056 0.72 ALDH1A1 (0.48) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL11277936 0.67 MAPT (0.45) SMN1; SMN2ALDH1A1MAPTHPGDKDM4E
SCHEMBL5616611 0.67 KDM4E (0.44) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL14806893 0.66 ALDH1A1 (0.56) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL14806890 0.66 ALDH1A1 (0.56) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL14807404 0.66 KARS1 (0.55) NPSR1LMNASMN1; SMN2PKMALDH1A1
SCHEMBL14807402 0.66 KARS1 (0.55) NPSR1LMNASMN1; SMN2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429274-B2 Agent and method for the oxidative coloring of keratin fibers WELLA AG (DE) 2008-09-30 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed

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-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 NPSR1 4571/4885LMNA 90/4885SMN1; SMN2 3816/4885

“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.