SCHEMBL47287

SCHEMBL47287

CC(Oc1ccc(C(=O)c2ccc(/N=N/N(C)C)cc2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ ELANE P08246 2/20 0.39
▸ PPARG P37231 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ LMNA P02545 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 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
SCHEMBL12966626 1.00 MAPT (0.48) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL12966537 0.85 CYP1A2 (0.46) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL12966650 0.85 MAPT (0.60) MAPTNPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL12966551 0.84 LMNA (0.48) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL41667 0.83 MAPT (0.43) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL41666 0.83 MAPT (0.43) MAPTNPC1RAB9AGAASMN1; SMN2
SCHEMBL12966662 0.83 MAPT (0.51) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL12966543 0.83 NPC1 (0.42) MAPTNPC1RAB9ACYP1A2CYP2C19
SCHEMBL12966544 0.82 KMT2A (0.46) MAPTNPC1RAB9ACYP1A2GAA
SCHEMBL38787 0.80 MAPT (0.55) MAPTNPC1RAB9AGAASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAPT 1925/4885NPC1 264/4885RAB9A 409/4885
US-20120028927-A1 Novel Triazene Compounds For The Treatment Of Cancer KRAS, TP53, VHL MAPT 1925/4885NPC1 264/4885RAB9A 409/4885

“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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