SCHEMBL43048

SCHEMBL43048

CN(C)N=Nc1ccc(C(=O)c2ccc(OCCC(=O)O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.51
▸ L3MBTL1 Q9Y468 5/20 0.50
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ LTA4H P09960 6/20 0.46
▸ GAA P10253 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ LSS P48449 1/20 0.41

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
SCHEMBL38663 1.00 PPARA (0.51) PPARAL3MBTL1MAPTNPC1RAB9A
SCHEMBL12966546 0.94 PPARA (0.57) PPARAL3MBTL1MAPTNPC1RAB9A
SCHEMBL12966674 0.92 PPARA (0.63) PPARAL3MBTL1MAPTNPC1RAB9A
SCHEMBL38769 0.87 ALDH1A1 (0.44) PPARAL3MBTL1MAPTNPC1RAB9A
SCHEMBL38704 0.87 ALDH1A1 (0.44) PPARAL3MBTL1MAPTNPC1RAB9A
SCHEMBL12966540 0.87 LTA4H (0.60) L3MBTL1MAPTNPC1RAB9ALTA4H
SCHEMBL10119596 0.86 NPC1 (0.52) PPARAMAPTNPC1RAB9A
SCHEMBL38750 0.86 NPC1 (0.52) PPARAMAPTNPC1RAB9A
SCHEMBL12966549 0.85 ALDH1A1 (0.48) L3MBTL1MAPTNPC1RAB9ALTA4H
SCHEMBL12966531 0.84 L3MBTL1 (0.47) PPARAL3MBTL1MAPTNPC1RAB9A

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
WO-2012130850-A1 TISSUE TARGETING BY MEANS OF ONCOCIDAL BRIDGED DIPHENYL DERIVATIVES FOR THE SELECTIVE TREATMENT OF SEXUAL ORGAN TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — WO 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 PPARA 2387/4885L3MBTL1 1076/4885MAPT 1925/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL PPARA 2387/4885L3MBTL1 1076/4885MAPT 1925/4885

“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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