SCHEMBL950588

SCHEMBL950588

O=C1Nc2c(cccc2-c2ccccc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.58
DAO P14920 2/20 0.58
NSD2 O96028 1/20 0.58
BCHE P06276 1/20 0.58
LIG1 P18858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
CASP3 P42574 1/20 0.52
CASP2 P42575 1/20 0.52
CASP7 P55210 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
PTP4A3 O75365 1/20 0.45
PARP10 Q53GL7 1/20 0.43
PARP11 Q9NR21 1/20 0.43
GSK3B P49841 1/20 0.43
FLT3 P36888 2/20 0.42
PLK4 O00444 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL17038519 0.83 L3MBTL1 (0.55) CES1DAONSD2BCHELIG1
SCHEMBL1091746 0.79 CES1 (0.59) CES1DAONSD2BCHELIG1
SCHEMBL17038548 0.79 L3MBTL1 (0.55) CES1DAONSD2BCHELIG1
SCHEMBL4189712 0.77 CES1 (0.50) CES1DAONSD2BCHELIG1
SCHEMBL4180952 0.77 CES1 (0.50) CES1DAONSD2BCHELIG1
Isatin SCHEMBL28636865 0.76 MAOA (0.80) CASP3CASP2CASP7CASP6CASP8
SCHEMBL18020095 0.76 MAOA (0.49) CES1DAONSD2BCHELIG1
SCHEMBL27941923 0.76 DAO (0.49) CES1DAONSD2BCHELIG1
SCHEMBL6845708 0.73 CES1 (0.60) CES1DAONSD2BCHELIG1
SCHEMBL505703 0.73 CES1 (0.60) CES1DAONSD2BCHELIG1

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101287721-B Hydrazide compound and pesticidal use of the same SUMITOMO CO LTD 2013-03-27 CN disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
US-7968573-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-28 US disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
EP-1937664-B1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2011-06-15 EP disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME IKEGAMI HIROSHI 2011-03-24 US disclosed
US-7867949-B2 Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-01-11 US disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 WO disclosed
CN-1902179-A Methods and compositions for selectin inhibition WYETH CORP (US) 2007-01-24 CN disclosed
EP-1682511-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION Wyeth (US) 2006-07-26 EP disclosed
US-6906090-B1 Compositions and methods for treating mycobacterial diseases ASTRAZENECA AB (SE) 2005-06-14 US disclosed
WO-2005047257-A2 METHODS AND COMPOSITIONS FOR SELECTIN INHIBITION WYETH (US) 2005-05-26 WO disclosed
US-20050101568-A1 Methods and compositions for selectin inhibition WYETH (US) 2005-05-12 US disclosed
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP disclosed
EP-1058548-A1 NEW USE AstraZeneca AB (SE) 2000-12-13 EP disclosed
WO-1999044608-A1 NEW USE ASTRAZENECA AB (SE) 1999-09-10 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 (2 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-20050101568-A1 Methods and compositions for selectin inhibition SELP, SELE, SELL CES1 707/4885DAO 1610/4885NSD2 4259/4885
US-20110071291-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, H1-2, H1-0 CES1 1115/4885DAO 1683/4885NSD2 2162/4885

“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.