SCHEMBL1716129

SCHEMBL1716129

NOCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.71
ALDH1A1 P00352 8/20 0.68
KDM4E B2RXH2 1/20 0.68
LMNA P02545 1/20 0.68
PKM P14618 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
TSHR P16473 1/20 0.65
TBXA2R P21731 2/20 0.55
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
KEAP1 Q14145 1/20 0.49
MAPT P10636 1/20 0.48
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
HTR7 P34969 1/20 0.48

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
SCHEMBL1715771 0.95 ALDH1A1 (0.71) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL12672465 0.84 ALDH1A1 (0.82) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL12640167 0.84 ALDH1A1 (0.82) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL10453840 0.83 ALDH1A1 (0.96) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL7176062 0.83 MAPK1 (1.00) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL1880968 0.83 ALDH1A1 (0.72) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL9577143 0.81 ALDH1A1 (1.00) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL12672471 0.81 ALDH1A1 (1.00) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL21048464 0.81 ALDH1A1 (1.00) MAPK1ALDH1A1KDM4ELMNAPKM
SCHEMBL8349699 0.81 ALDH1A1 (1.00) MAPK1ALDH1A1KDM4ELMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
JP-2007513098-A 2007-05-24 JP claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP disclosed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 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 (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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 MAPK1 4401/4885ALDH1A1 804/4885KDM4E 843/4885

“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.