SCHEMBL13043620

SCHEMBL13043620

CN(C)c1ccc(/N=N/c2scc[n+]2CC(=O)NCCSSCCNC(=O)C[n+]2ccsc2/N=N/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ INSR P06213 1/20 0.34
▸ MYC P01106 1/20 0.33
▸ HDAC1 Q13547 6/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HDAC10 Q969S8 5/20 0.32
▸ HDAC6 Q9UBN7 5/20 0.32
▸ HDAC8 Q9BY41 4/20 0.32
▸ F2 P00734 3/20 0.32
▸ PRSS1 P07477 3/20 0.32

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
SCHEMBL13043639 0.87 PSMD14 (0.30) NPC1MAPTRAB9AKMT2A
SCHEMBL14700368 0.87 — —
SCHEMBL13043394 0.80 INSR (0.41) MAPK1NPC1MAPTRAB9APOLB
SCHEMBL13043833 0.78 — —
SCHEMBL12589392 0.76 MYC (0.40) MAPK1NPC1MAPTRAB9APOLB
SCHEMBL12725050 0.75 POLB (0.39) POLB
SCHEMBL13208380 0.74 ALDH1A1 (0.45) MAPK1NPC1MAPTRAB9APOLB
SCHEMBL10103983 0.72 NPC1 (0.55) MAPK1NPC1MAPTRAB9APOLB
SCHEMBL2197114 0.70 INSR (0.44) MAPK1NPC1MAPTRAB9APOLB
SCHEMBL12380601 0.69 ALDH1A1 (0.50) MAPK1NPC1MAPTRAB9APOLB

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-7828858-B2 Mixture of sulfide dyes CIBA CORPORATION (US) 2010-11-09 — — US disclosed
US-20090100610-A1 Mixture of Sulfide Dyes CIBA CORPORATION 2009-04-23 — — 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-20090100610-A1 Mixture of Sulfide Dyes KRT18, TST, ARSA MAPK1 3342/4885NPC1 4813/4885MAPT 1174/4885

“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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