SCHEMBL12869238

SCHEMBL12869238

CN(CCSC(=O)CCC(=O)SCCN(C)c1ccc(/C=C/c2cc[n+](C)cc2)cc1)c1ccc(/C=C/c2cc[n+](C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.49
▸ MEN1 O00255 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ MAPT P10636 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CHAT P28329 3/20 0.37
▸ KDM4A O75164 4/20 0.36
▸ KDM2A Q9Y2K7 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ CASP1 P29466 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
SCHEMBL13043729 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12869232 0.86 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12869217 0.86 MEN1 (0.37) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13043785 0.83 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10104040 0.82 MEN1 (0.58) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13043726 0.82 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL14146585 0.81 MEN1 (0.57) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2314858 0.81 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2314863 0.81 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2314853 0.81 MEN1 (0.45) KMT2AMEN1ALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110023242-A1 DICHROMOPHORE CARBONYL OR HETEROCYCLIC DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR DYEING KERATIN MATERIALS USING THIS DYE L'OREAL S.A. (FR) 2011-02-03 — — 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-20110023242-A1 DICHROMOPHORE CARBONYL OR HETEROCYCLIC DYE, DYE COMPOSITION COMPRISING THIS DYE, PROCESS FOR DYEING KERATIN MATERIALS USING THIS DYE KRT18, CUTA, KRTCAP2 KMT2A 1321/4885MEN1 1822/4885ALDH1A1 418/4885

“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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