SCHEMBL1715280

SCHEMBL1715280

O=C(NCCCCONC(=O)c1ccccc1NCc1ccncc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MMP13 P45452 2/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
HTT P42858 1/20 0.45
MAPK14 Q16539 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDR P35968 5/20 0.44
FLT1 P17948 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
KIT P10721 2/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
FLT4 P35916 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 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
SCHEMBL1715178 0.97 ALDH1A1 (0.50) ALDH1A1MMP13LMNACYP3A4HTT
SCHEMBL1715135 0.88 ALDH1A1 (0.48) ALDH1A1KDRFLT1HDAC3HDAC1
SCHEMBL1714722 0.87 HTT (0.52) ALDH1A1HTTKDRFLT1KIT
SCHEMBL1714752 0.85 CA9 (0.50) HTTKDRFLT1KITABL1
SCHEMBL1715160 0.85 KDR (0.49) ALDH1A1KDRFLT1HDAC3HDAC1
SCHEMBL1715289 0.84 CYP3A4 (0.44) ALDH1A1CYP3A4KDRFLT1KIT
SCHEMBL1715201 0.84 HTT (0.53) ALDH1A1HTTKDRFLT1KIT
SCHEMBL1715054 0.84 KDR (0.48) ALDH1A1SMN1; SMN2KDRFLT1KIT
SCHEMBL1715227 0.84 KDR (0.50) ALDH1A1KDRFLT1HDAC1KIT
SCHEMBL1714444 0.83 LMNA (0.48) ALDH1A1LMNAHTTSMN1; SMN2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP claimed
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN claimed
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
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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
CN-1906155-B Novel hydroxamic acid ester derivant and pharmaceutical use thereof LEO PHARMA AS 2010-06-23 CN disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US disclosed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN 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 ALDH1A1 804/4885MMP13 349/4885LMNA 3439/4885

“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.