SCHEMBL1715427

SCHEMBL1715427

O=C(O)c1ccccc1NCc1ccnc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 2/20 0.54
CYP1A2 P05177 2/20 0.54
RAB9A P51151 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 2/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NSD2 O96028 1/20 0.48
KDM4C Q9H3R0 3/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CDC7 O00311 1/20 0.47
MAPK8 P45983 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
SCHEMBL1715112 0.81 NSD2 (0.47) RAB9ASMN1; SMN2NPC1NSD2HDAC6
SCHEMBL17177678 0.80 HTR1A (0.50) ALDH1A1POLBRAB9AMEN1KMT2A
SCHEMBL4977752 0.80 KDR (0.55) ALDH1A1MEN1KMT2ANPC1L3MBTL1
SCHEMBL3731983 0.79 KDR (0.61) CYP1A2NSD2HDAC6MAPK8KDR
SCHEMBL29350146 0.78 CDC25B (0.57) HPGDALDH1A1POLBCYP1A2RAB9A
SCHEMBL10670922 0.78 CDC25B (0.57) HPGDALDH1A1POLBCYP1A2RAB9A
SCHEMBL29836693 0.78 CDC25B (0.57) HPGDALDH1A1POLBCYP1A2RAB9A
Hydrochloric Acid SCHEMBL3737793 0.78 KDR (0.60) HPGDALDH1A1POLBCYP1A2RAB9A
SCHEMBL6131497 0.78 KDR (0.50) NSD2HDAC6KDRFLT1RAF1
SCHEMBL9582483 0.78 KMT2A (0.55) ALDH1A1CYP1A2RAB9AMEN1KMT2A

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 14 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
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US disclosed
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
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
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US 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 HPGD 301/4885ALDH1A1 804/4885POLB 1532/4885

“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.