SCHEMBL4513653

SCHEMBL4513653

O=C(CON1C(=O)c2ccccc2C1=O)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ACHE P22303 1/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
POLB P06746 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4510692 0.90 ALDH1A1 (0.52) ALDH1A1HPGDKMT2AGAAHSD17B10
SCHEMBL221092 0.75 ALDH1A1 (0.72) ALDH1A1HPGDKMT2AGAAHSD17B10
SCHEMBL20816052 0.74 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AGAAHSD17B10
SCHEMBL13531591 0.74 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AGAAHSD17B10
SCHEMBL8610167 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AGAACYP1A2CYP2C9
SCHEMBL9740512 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AGAACYP1A2CYP2C9
SCHEMBL4279628 0.74 ALDH1A1 (0.65) ALDH1A1KMT2AGAACYP1A2CYP2C9
SCHEMBL10554958 0.72 GAA (0.57) ALDH1A1KMT2AGAACYP1A2KDM4E
SCHEMBL29364005 0.72 ACHE (1.00) ALDH1A1HPGDKMT2AGAAHSD17B10
SCHEMBL1562501 0.71 ALDH1A1 (0.61) ALDH1A1KMT2AGAACYP1A2CYP2C9

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 7 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 ALDH1A1 2324/4885HPGD 1584/4885KMT2A 4771/4885
US-20150374680-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 2726/4885HPGD 1313/4885KMT2A 4741/4885
US-20140031302-A1 POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 2324/4885HPGD 1584/4885KMT2A 4771/4885

“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.