SCHEMBL38791

SCHEMBL38791

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ LTA4H P09960 1/20 0.35
▸ POLB P06746 2/20 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
SCHEMBL47173 0.90 SMN1; SMN2 (0.47) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL38768 0.87 MAPT (0.46) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL38769 0.83 ALDH1A1 (0.44) RAB9AMAPTNPC1ALDH1A1OPRM1
SCHEMBL38704 0.83 ALDH1A1 (0.44) RAB9AMAPTNPC1ALDH1A1OPRM1
SCHEMBL15946456 0.82 GPR35 (0.37) RAB9AMAPTNPC1ALDH1A1GPR35
SCHEMBL14821149 0.82 GPR35 (0.37) RAB9AMAPTNPC1ALDH1A1GPR35
SCHEMBL38682 0.82 MAPT (0.43) RAB9AMAPTNPC1ALDH1A1OPRM1
SCHEMBL38701 0.82 MAPT (0.43) RAB9AMAPTNPC1ALDH1A1OPRM1
SCHEMBL13959036 0.81 MAPT (0.42) RAB9AMAPTNPC1ALDH1A1OPRM1
SCHEMBL38663 0.79 PPARA (0.51) RAB9AMAPTNPC1LTA4H

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 5 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-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 RAB9A 409/4885MAPT 1925/4885NPC1 264/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL RAB9A 409/4885MAPT 1925/4885NPC1 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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