SCHEMBL1715969

SCHEMBL1715969

Cc1nn(C)c(C)c1CNc1ccccc1C(=O)NOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
PTGS2 P35354 2/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
EGFR P00533 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL1715277 0.78 PTGS2 (0.53) KDM4EALDH1A1PTGS2NPC1RAB9A
SCHEMBL1715877 0.77 PTGS2 (0.54) KDM4EPTGS2NPC1RAB9AEGFR
SCHEMBL27783492 0.77 PTGS2 (0.43) KDM4EPTGS2NPC1RAB9AEGFR
SCHEMBL1715564 0.76 PTGS2 (0.46) PTGS2NPC1RAB9AEGFRKMT2A
SCHEMBL1715522 0.76 PTGS2 (0.46) PTGS2NPC1RAB9AEGFR
SCHEMBL1715384 0.75 KDR (0.52) KDM4EALDH1A1PTGS2NPC1RAB9A
SCHEMBL1714740 0.73 USP2 (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1714655 0.73 NPC1 (0.63) KDM4EALDH1A1PTGS2NPC1RAB9A
SCHEMBL1715827 0.73 NPC1 (0.48) KDM4EALDH1A1PTGS2LMNANPC1
SCHEMBL1714965 0.73 PTGS2 (0.44) KDM4EALDH1A1PTGS2NPC1RAB9A

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 11 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
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 KDM4E 843/4885ALDH1A1 804/4885PTGS2 1912/4885

“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.