SCHEMBL12201178

SCHEMBL12201178

CSSCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 2/20 0.54
GFER P55789 2/20 0.54
LMNA P02545 1/20 0.54
ALPG P10696 1/20 0.54
THRB P10828 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
RAB9A P51151 6/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHAT P28329 5/20 0.41
GAA P10253 2/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40

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
SCHEMBL10104040 0.93 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14146585 0.88 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13645967 0.85 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21005560 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19649119 0.82 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14546717 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13043732 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13043786 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13645972 0.80 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13043729 0.80 KMT2A (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034125-B2 Dye composition comprising at least one colorless disulfide/thiol precursor, and dyeing process using the composition L'OREAL S.A. (FR) 2011-10-11 US disclosed
US-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION L'OREAL S.A. (FR) 2011-01-27 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-20110016642-A1 DYE COMPOSITION COMPRISING AT LEAST ONE COLORLESS DISULFIDE/THIOL PRECURSOR, AND DYEING PROCESS USING THE COMPOSITION KRT18, SQOR, TST MEN1 4336/4885KMT2A 2387/4885ALDH1A1 743/4885

“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.