SCHEMBL13294190

SCHEMBL13294190

CC[n+]1c(/C=C/c2ccc(N(C)CCSSCCN(C)c3ccc(/C=C/c4oc5ccccc5[n+]4CC)cc3)cc2)oc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.49
▸ MEN1 O00255 9/20 0.49
▸ LMNA P02545 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ HTT P42858 6/20 0.44
▸ GAA P10253 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ INSR P06213 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ PPARG P37231 2/20 0.41
▸ NCOA2 Q15596 2/20 0.41
▸ NCOA1 Q15788 2/20 0.41

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
Iodide SCHEMBL3292999 0.99 KMT2A (0.51) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL13839754 0.90 ATP4A (0.44) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL13294082 0.86 MEN1 (0.40) KMT2AMEN1LMNAALDH1A1KDM4E
Iodide SCHEMBL8745039 0.83 KMT2A (0.57) KMT2AMEN1LMNAALDH1A1KDM4E
Iodide SCHEMBL8745042 0.83 KMT2A (0.57) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL17123814 0.78 APP (0.57) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL13294153 0.76 INSR (0.73) KMT2AMEN1LMNAHTTRAB9A
Iodide SCHEMBL3289688 0.75 INSR (0.71) KMT2AMEN1LMNAHTTRAB9A
SCHEMBL13294106 0.74 MEN1 (0.42) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL10104130 0.73 MEN1 (0.36) KMT2AMEN1LMNAALDH1A1KDM4E

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-7727287-B2 Hemicyanin styryl thiol/disulfide dye, composition comprising hemicyanin styryl thoil/disulfide dye, and method for lightening keratin materials using hemicyanin styryl thiol/disulfide dye L'OREAL S.A. (FR) 2010-06-01 — — US disclosed
US-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE L'OREAL S.A. (FR) 2009-08-27 — — 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-20090211038-A1 HEMICYANIN STYRYL THIOL/DISULFIDE DYE, COMPOSITION COMPRISING HEMICYANIN STYRYL THIOL/DISULFIDE DYE, AND METHOD FOR LIGHTENING KERATIN MATERIALS USING HEMICYANIN STYRYL THIOL/DISULFIDE DYE KRT18, SCNN1B, TST KMT2A 2847/4885MEN1 3463/4885LMNA 1772/4885

“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.

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