SCHEMBL38682

SCHEMBL38682

CN(C)/N=N/c1ccc(C(=O)c2ccc(OCCC(=O)NCC(N)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ TSHR P16473 2/20 0.37
▸ LTA4H P09960 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ ACR P10323 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LSS P48449 1/20 0.35

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
SCHEMBL38704 0.90 ALDH1A1 (0.44) MAPTNPC1RAB9ATSHRLTA4H
SCHEMBL38769 0.90 ALDH1A1 (0.44) MAPTNPC1RAB9ATSHRLTA4H
SCHEMBL38701 0.89 MAPT (0.43) MAPTNPC1RAB9ATSHRLTA4H
SCHEMBL47283 0.89 MAPT (0.44) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL13959036 0.88 MAPT (0.42) MAPTNPC1RAB9ATSHRLTA4H
SCHEMBL38768 0.86 MAPT (0.46) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL38791 0.82 RAB9A (0.40) MAPTNPC1RAB9ATSHRLTA4H
SCHEMBL38663 0.81 PPARA (0.51) MAPTNPC1RAB9ALTA4HLMNA
SCHEMBL43048 0.81 PPARA (0.51) MAPTNPC1RAB9ALTA4HLMNA
SCHEMBL38757 0.81 ITGB3 (0.39) MAPTNPC1RAB9ALTA4HPRSS1

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 8 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-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
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN THERAPEUTICS GMBH (DE) 2012-02-02 — — US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 — — US disclosed
US-8034797-B2 Triazene compounds for the treatment of cancer TRIN THERAPEUTICS GMBH (DE) 2011-10-11 — — US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 — — US disclosed
US-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer TRIN PHARMA GMBH (CH) 2010-09-16 — — 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 (2 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-20100234327-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL MAPT 1925/4885NPC1 264/4885RAB9A 409/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL MAPT 1925/4885NPC1 264/4885RAB9A 409/4885

“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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