SCHEMBL10104576

SCHEMBL10104576

CC[n+]1ccccc1/C=C/c1ccc(N(C)CCSSCCN(C)c2ccc(/C=C/c3cccc[n+]3C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.61
MEN1 O00255 11/20 0.61
KMT2A Q03164 11/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 4/20 0.61
HTT P42858 4/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
STAT3 P40763 1/20 0.61
KDM4A O75164 2/20 0.47
KDM2A Q9Y2K7 2/20 0.47
APOBEC3A P31941 4/20 0.45
APOBEC3G Q9HC16 4/20 0.45
GFER P55789 4/20 0.45
KDM4E B2RXH2 2/20 0.40
PABPC1 P11940 2/20 0.40
EIF4H Q15056 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 3/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL10104042 0.94 MEN1 (0.68) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10104048 0.92 RAB9A (0.47) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10313112 0.90 MEN1 (0.62) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10104170 0.87 MEN1 (0.65) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL12657328 0.87 MEN1 (0.59) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10104286 0.87 MEN1 (0.59) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10104174 0.86 MEN1 (0.64) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10104097 0.86 MEN1 (0.60) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL12657238 0.85 MEN1 (0.69) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL10104280 0.84 RAB9A (0.41) RAB9AMEN1KMT2ANPC1ALDH1A1

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-8562693-B2 Method of dyeing and lightening keratin materials in the presence of a reducing agent comprising a fluorescent deisulphide dye L'OREAL (FR) 2013-10-22 US disclosed
US-8097044-B2 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping and dyeing processes L'OREAL S.A. (FR) 2012-01-17 US disclosed
US-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes L'OREAL S.A. (FR) 2009-05-21 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-20090126755-A1 Hair compositions comprising at least one disulfide direct dye and at least one alkaline hydroxide agent and simultaneous hair shaping an dyeing processes KRT18, DSG1, ALPG RAB9A 4038/4885MEN1 3833/4885KMT2A 1006/4885

“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.