SCHEMBL47170

SCHEMBL47170

CC(O)C(NC(=O)COc1ccc(C(=O)c2ccc(/N=N/N(C)C)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MBTPS1 Q14703 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ABCB1 P08183 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
SCHEMBL47281 0.83 TMPRSS15 (0.43) SMN1; SMN2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL14821134 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL14821136 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL47172 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL10119596 0.79 NPC1 (0.52) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL38750 0.79 NPC1 (0.52) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL42618 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1KDM4ENPC1
SCHEMBL42619 0.79 SMN1; SMN2 (0.47) SMN1; SMN2HTTALDH1A1KDM4ENPC1
SCHEMBL47283 0.76 MAPT (0.44) SMN1; SMN2HTTALDH1A1KDM4ENPC1
SCHEMBL38657 0.76 LMNA (0.45) SMN1; SMN2HTTALDH1A1KDM4ENPC1

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 6 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-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
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 915/4885L3MBTL1 1076/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL SMN1; SMN2 2078/4885HTT 915/4885L3MBTL1 1076/4885

“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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