SCHEMBL38768

SCHEMBL38768

CCCNC(=O)CCOc1ccc(C(=O)c2ccc(/N=N/N(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MMP1 P03956 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SLC6A5 Q9Y345 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTT P42858 1/20 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
SCHEMBL38791 0.87 RAB9A (0.40) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL38704 0.87 ALDH1A1 (0.44) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL38769 0.87 ALDH1A1 (0.44) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL38682 0.86 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL38701 0.86 MAPT (0.43) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL13959036 0.85 MAPT (0.42) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL38663 0.82 PPARA (0.51) MAPTRAB9ANPC1L3MBTL1BCHE
SCHEMBL43048 0.82 PPARA (0.51) MAPTRAB9ANPC1L3MBTL1BCHE
SCHEMBL47175 0.79 MAPT (0.62) MAPTRAB9ANPC1SMN1; SMN2L3MBTL1
SCHEMBL12966546 0.79 PPARA (0.57) MAPTRAB9ANPC1L3MBTL1BCHE

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-8426390-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2013-04-23 — — US disclosed
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 — — 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-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL MAPT 1925/4885RAB9A 409/4885NPC1 264/4885

“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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