SCHEMBL38769

SCHEMBL38769

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PPARA Q07869 1/20 0.41
▸ LTA4H P09960 6/20 0.40
▸ TSHR P16473 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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 1.00 ALDH1A1 (0.44) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL38701 0.90 MAPT (0.43) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL38682 0.90 MAPT (0.43) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL13959036 0.89 MAPT (0.42) ALDH1A1MAPTNPC1RAB9APPARA
SCHEMBL42619 0.89 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL42618 0.89 SMN1; SMN2 (0.47) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL43048 0.87 PPARA (0.51) LMNAMAPTNPC1RAB9APPARA
SCHEMBL38663 0.87 PPARA (0.51) LMNAMAPTNPC1RAB9APPARA
SCHEMBL38768 0.87 MAPT (0.46) ALDH1A1MAPTNPC1RAB9ATSHR
SCHEMBL12966546 0.83 PPARA (0.57) LMNAMAPTNPC1RAB9APPARA

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 ALDH1A1 3145/4885LMNA 2884/4885MAPT 1925/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL ALDH1A1 3145/4885LMNA 2884/4885MAPT 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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