SCHEMBL42619

SCHEMBL42619

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 8/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 6/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 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
SCHEMBL42618 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL38657 0.90 LMNA (0.45) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL47283 0.90 MAPT (0.44) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL38750 0.89 NPC1 (0.52) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL10119596 0.89 NPC1 (0.52) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL38704 0.89 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1MAPTNPC1
SCHEMBL38769 0.89 ALDH1A1 (0.44) SMN1; SMN2LMNAALDH1A1MAPTNPC1
SCHEMBL47284 0.87 MAPT (0.53) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL47173 0.82 SMN1; SMN2 (0.47) SMN1; SMN2HTTLMNAALDH1A1MAPT
SCHEMBL47281 0.81 TMPRSS15 (0.43) SMN1; SMN2HTTLMNAALDH1A1MAPT

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 SMN1; SMN2 2078/4885HTT 915/4885LMNA 2884/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL SMN1; SMN2 2078/4885HTT 915/4885LMNA 2884/4885

“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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