SCHEMBL38657

SCHEMBL38657

COC(=O)CNC(=O)COc1ccc(C(=O)c2ccc(N=NN(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ HTT P42858 3/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL47284 0.90 MAPT (0.53) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL42618 0.90 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL42619 0.90 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL38701 0.89 MAPT (0.43) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL47283 0.89 MAPT (0.44) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL10119596 0.83 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL38750 0.83 NPC1 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14821470 0.81 LMNA (0.46) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL14821487 0.81 LMNA (0.46) LMNAALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL47173 0.81 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTNPC1RAB9A

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