SCHEMBL4503439

SCHEMBL4503439

NOCC(=O)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL14538084 1.00 ATM (0.48) ATMRAB9AHPGDPOLBMAPT
SCHEMBL13039605 0.98 ATM (0.50) ATMRAB9AHPGDPOLBMAPT
SCHEMBL14538019 0.82 ACHE (0.54) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL14538018 0.79 ALDH1A1 (0.36) ATMPOLBALDH1A1KMT2AL3MBTL1
SCHEMBL5181688 0.78 TPSAB1 (0.51) POLBALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28716383 0.78 ALDH1A1 (0.50) ATMRAB9AHPGDPOLBALDH1A1
SCHEMBL14538081 0.78 L3MBTL1 (0.70) RAB9AHPGDPOLBALDH1A1L3MBTL1
SCHEMBL1220310 0.77 KMT2A (0.52) ATMRAB9AHPGDPOLBMAPT
SCHEMBL13450960 0.77 KMT2A (0.52) ATMRAB9AHPGDPOLBMAPT
SCHEMBL15919877 0.77 ATM (0.48) ATMRAB9AHPGDPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIV STRASBOURG (FR) 2017-06-22 — — US disclosed
US-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIV STRASBOURG (FR) 2017-06-22 — — US disclosed
EP-2254880-B1 Macrocyclic prodrug compounds useful as therapeutics NEXGENIX PHARMACEUTICALS (US) 2016-08-17 — — EP disclosed
US-20150374680-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2015-12-31 — — US disclosed
US-20150374680-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2015-12-31 — — US disclosed
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ONCOSYNERGY, INC. (US) 2014-05-15 — — US disclosed
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ONCOSYNERGY, INC. (US) 2014-05-15 — — US disclosed
US-20140031302-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2014-01-30 — — US disclosed
US-20140031302-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2014-01-30 — — US disclosed
WO-2012052843-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES UNIVERSITE DE STRASBOURG (FR) 2012-04-26 — — WO disclosed
US-20110190237-A1 Macrocyclic Prodrug Compounds Useful as Therapeutics NEXGENIX PHARMACEUTICALS (US) 2011-08-04 — — US disclosed
WO-2009105755-A2 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS NEXGENIX PHARMACEUTICALS (US) 2009-08-27 — — WO disclosed
WO-2007059116-A2 GELDANAMYCIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF ABRAXIS BIOSCIENCE, INC. (US) 2007-05-24 — — WO 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 (5 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-20170174669-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 ATM 137/4885RAB9A 1536/4885HPGD 1584/4885
US-20150374680-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 ATM 141/4885RAB9A 1644/4885HPGD 1313/4885
US-20110190237-A1 Macrocyclic Prodrug Compounds Useful as Therapeutics ADCYAP1R1, CYP19A1, THOP1 ATM 2515/4885RAB9A 3319/4885HPGD 58/4885
US-20140135290-A1 MACROCYCLIC PRODRUG COMPOUNDS USEFUL AS THERAPEUTICS ADCYAP1R1, CYP19A1, THOP1 ATM 2515/4885RAB9A 3319/4885HPGD 58/4885
US-20140031302-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 ATM 137/4885RAB9A 1536/4885HPGD 1584/4885

“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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