SCHEMBL588637

SCHEMBL588637

C#CCCN(Cc1cnccn1)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
NLRP3 Q96P20 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL9315885 0.88 KMT2A (0.38) KMT2AMEN1ALDH1A1CDC7DBF4
SCHEMBL6489633 0.81 KMT2A (0.39) KMT2AMEN1ALDH1A1CDC7DBF4
SCHEMBL11680189 0.67 SMN1; SMN2 (0.46) KMT2AMEN1ALDH1A1CDC7DBF4
SCHEMBL9315853 0.66 ACHE (0.37) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL10305066 0.66 TDP1 (0.46) KMT2AMEN1ALDH1A1TDP1RAB9A
SCHEMBL9316395 0.65 ALDH1A1 (0.35) ALDH1A1TRPM8
SCHEMBL2490236 0.65 KMT2A (0.47) KMT2AMEN1ALDH1A1CDC7DBF4
SCHEMBL20702561 0.65 CTDSP1 (0.54) KMT2AMEN1ALDH1A1CDC7DBF4
Ethyl Propionate SCHEMBL29088282 0.65 CDC7 (0.41) KMT2AMEN1ALDH1A1CDC7DBF4
SCHEMBL28148509 0.64 HSP90AA1 (0.33) ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831199-B1 MMP inhibitors ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-07 US disclosed
US-7700604-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-04-20 US disclosed
US-7655664-B2 Hydantoin derivatives as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-02 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-6951863-B2 Pyridoarylphenly oxazolidinone antibacterials, and related compositions and methods ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-10-04 US disclosed
EP-1358185-A2 PYRIDOARYLPHENYL OXAZOLIDINONE ANTIBACTERIALS, AND RELATED COMPOSITIONS AND METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2003-11-05 EP disclosed
US-20030176422-A1 For therapy of bacterial infections in humans and animals ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-18 US disclosed
WO-2002064574-A2 PYRIDOARYLPHENYL OXAZOLIDINONE ANTIBACTERIALS, AND RELATED COMPOSITIONS AND METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-08-22 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 (4 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-20100256166-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 KMT2A 786/4885MEN1 1095/4885ALDH1A1 169/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 KMT2A 786/4885MEN1 1095/4885ALDH1A1 169/4885
US-20030176422-A1 For therapy of bacterial infections in humans and animals OXA1L, PIGS, NDUFS3 KMT2A 4609/4885MEN1 3703/4885ALDH1A1 916/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 KMT2A 786/4885MEN1 1095/4885ALDH1A1 169/4885

“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.