SCHEMBL16535027

SCHEMBL16535027

CC(C)(C)OC(=O)C(C)(CCCCNc1ncc([N+](=O)[O-])s1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATG4B Q9Y4P1 10/20 0.46
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ STAT3 P40763 2/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CASP7 P55210 1/20 0.39

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
SCHEMBL16208277 0.76 LMNA (0.61) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL28523289 0.71 LMNA (0.65) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL17076650 0.69 ATG4B (0.51) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL18529277 0.69 ATG4B (0.54) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL28800465 0.68 MEN1 (0.55) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL12599400 0.67 NPC1 (0.59) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL29056927 0.66 STAT3 (0.66) LMNAMEN1KMT2ANPC1RAB9A
SCHEMBL7193648 0.66 ATG4B (0.52) ATG4BLMNAMEN1KMT2ANPC1
Nithiamide SCHEMBL158858 0.65 NPC1 (0.63) ATG4BLMNAMEN1KMT2ANPC1
SCHEMBL28518118 0.65 KMT2A (0.55) ATG4BLMNAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS APOSENSE LTD. (IL) 2015-03-05 — — 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 (1 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-20150064111-A1 NOVEL TARGETING AGENTS FOR DIAGNOSTIC AND THERAPEUTIC INDICATIONS VHL, TP53, DLD ATG4B 2967/4885LMNA 3965/4885MEN1 1339/4885

“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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