SCHEMBL43740

SCHEMBL43740

CN(C)N=Nc1ccc(C(=O)c2ccc(OCCC(=O)NC(CCC(N)=O)C(=O)O)cc2)cc1.[Na]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.40
▸ CA1 P00915 2/20 0.40
▸ ITGB3 P05106 4/20 0.38
▸ ITGA2B P08514 4/20 0.38
▸ TMPRSS15 P98073 3/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PPARG P37231 3/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ PRSS1 P07477 2/20 0.36
▸ FOLR2 P14207 1/20 0.35
▸ FOLR1 P15328 1/20 0.35
▸ GART P22102 1/20 0.35
▸ SLC19A1 P41440 1/20 0.35
▸ SLC46A1 Q96NT5 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL38757 0.99 ITGB3 (0.39) CA2CA1ITGB3ITGA2BTMPRSS15
SCHEMBL43738 0.98 ITGB3 (0.38) CA2CA1ITGB3ITGA2BTMPRSS15
SCHEMBL43739 0.90 MAPT (0.36) CA2CA1ITGB3ITGA2BTMPRSS15
SCHEMBL47172 0.83 SMN1; SMN2 (0.42) TMPRSS15FOLH1NPC1MAPTRAB9A
SCHEMBL14821754 0.83 CA2 (0.40) CA2CA1ITGB3ITGA2BTMPRSS15
SCHEMBL14821760 0.83 CA2 (0.40) CA2CA1ITGB3ITGA2BTMPRSS15
SCHEMBL12202642 0.81 MAPT (0.38) NPC1MAPTRAB9APPARGLTA4H
SCHEMBL38682 0.80 MAPT (0.43) NPC1MAPTRAB9ALTA4HPRSS1
SCHEMBL14821755 0.78 ITGB3 (0.41) CA2CA1ITGB3ITGA2BTMPRSS15
SCHEMBL14821757 0.78 ITGB3 (0.41) CA2CA1ITGB3ITGA2BTMPRSS15

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 4 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
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

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 CA2 3331/4885CA1 3913/4885ITGB3 4523/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL CA2 3331/4885CA1 3913/4885ITGB3 4523/4885

“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.

Send feedback