SCHEMBL1715643

SCHEMBL1715643

O=C(O)c1cccnc1NCc1ccc(F)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.56
PDPK1 O15530 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
MEN1 O00255 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KDM5B Q9UGL1 1/20 0.52
RPS6KB1 P23443 2/20 0.52
P4HTM Q9NXG6 1/20 0.51
AURKA O14965 1/20 0.51
KDR P35968 2/20 0.50
NAPRT Q6XQN6 1/20 0.49

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
SCHEMBL6168145 0.88 KDM5B (0.66) DHODHKDM4EMAPTKMT2AALDH1A1
SCHEMBL7012858 0.87 RPS6KB1 (0.64) KDM4EMAPTKMT2AGAAPDPK1
SCHEMBL18070922 0.87 KDM4E (0.62) DHODHKDM4EMAPTKMT2AGAA
SCHEMBL4163407 0.86 PDPK1 (0.63) KDM4EMAPTKMT2AGAAPDPK1
SCHEMBL1715912 0.86 KDR (0.64) DHODHKDM4EMAPTKMT2AMEN1
SCHEMBL1715372 0.85 KDR (0.65) DHODHKDM4EKDM5BKDR
SCHEMBL18071001 0.85 MAPT (0.65) KDM4EMAPTKMT2AGAAPDPK1
SCHEMBL15635901 0.85 KDM5B (0.58) DHODHKDM4EMAPTKMT2AGAA
SCHEMBL1715769 0.82 NPC1 (0.66) KDM4EMAPTKMT2AGAAALDH1A1
SCHEMBL15528705 0.82 MEN1 (0.79) KDM4EMAPTKMT2AGAAPDPK1

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 17 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
WO-2016144797-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 WO disclosed
WO-2016144792-A1 ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR ALLOSTERIC MODULATORS, THEIR DERIVATIVES AND USES THEREOF ALPHARMAGEN, LLC (US) 2016-09-15 WO 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
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
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 DHODH 639/4885KDM4E 843/4885MAPT 4681/4885

“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.