SCHEMBL2793267

SCHEMBL2793267

O=c1[nH]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.52
▸ TDP2 O95551 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ CASP9 P55211 1/20 0.52
▸ CASP6 P55212 1/20 0.52
▸ CASP8 Q14790 1/20 0.52
▸ SERPINE1 P05121 4/20 0.50
▸ MAPT P10636 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ RAF1 P04049 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CDK1 P06493 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL6378438 1.00 XDH (0.52) XDHTDP2CASP7CASP9CASP6
SCHEMBL6378954 0.87 SERPINE1 (0.69) XDHTDP2CASP7CASP9CASP6
SCHEMBL6378946 0.87 SERPINE1 (0.69) XDHTDP2CASP7CASP9CASP6
SCHEMBL14400067 0.85 XDH (0.50) XDHTDP2CASP7CASP9CASP6
SCHEMBL9185900 0.82 XDH (0.47) XDHTDP2CASP7CASP9CASP6
SCHEMBL9185905 0.82 XDH (0.47) XDHTDP2CASP7CASP9CASP6
SCHEMBL6379198 0.81 SERPINE1 (0.56) SERPINE1MAPTTDP1RAB9ARAF1
SCHEMBL6379195 0.81 SERPINE1 (0.56) SERPINE1MAPTTDP1RAB9ARAF1
SCHEMBL6380159 0.80 SERPINE1 (0.70) SERPINE1MAPTRAF1CYP1A2CDK1
SCHEMBL6373509 0.80 SERPINE1 (0.70) SERPINE1MAPTRAF1CYP1A2CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655060-B1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LTD (GB) 1998-01-14 — — EP claimed
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP claimed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — WO claimed
US-20100167933-A1 Piperazine Compounds With Herbicidal Action BASF SE (DE) 2010-07-01 — — US disclosed
EP-2061770-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2009-05-27 — — EP disclosed
WO-2009000757-A1 PIPERAZINE COMPOUNDS WITH HERBICIDAL ACTION BASF SE (DE) 2008-12-31 — — WO disclosed
US-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2005-11-10 — — US disclosed
US-20050019826-A1 Peptides blocking vascular endothelial growth factor(vegf)-mediated angiogenesis, polynucleotides encoding said pepetides and methods of use thereof UNIVERSITE PARIS 13 NORD (FR) 2005-01-27 — — US disclosed
US-20030171289-A1 Peptides blocking vascular endothelial growth factor (VEGF)-mediated angiogenesis, polynucleotides encoding said peptides and methods of use thereof INSTITUT PASTEUR (FR) 2003-09-11 — — US disclosed
US-6559126-B2 Peptides blocking vascular endothelial growth factor (VEGF)-mediated angiogenesis, polynucleotides encoding said peptides and methods of use thereof INSTITUT PASTEUR (FR) 2003-05-06 — — US disclosed
US-20020068697-A1 Peptides blocking vascular endothelial growth factor (VEGF) -mediated angiogenesis, polynucleotides encoding said peptides and methods of use thereof INSTITUT PASTEUR (FR) 2002-06-06 — — US disclosed
EP-0655060-B1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LTD (GB) 1998-01-14 — — EP disclosed
US-5700804-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITORS XENOVA LIMITED (GB) 1997-12-23 — — US disclosed
EP-0655060-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1995-05-31 — — EP disclosed
WO-1994004512-A1 PHARMACEUTICALLY ACTIVE DIKETOPIPERAZINES XENOVA LIMITED (GB) 1994-03-03 — — 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 (3 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-20020068697-A1 Peptides blocking vascular endothelial growth factor (VEGF) -mediated angiogenesis, polynucleotides encoding said peptides and methods of use thereof KDR, FLT1, FLT4 XDH 4862/4885TDP2 2844/4885CASP7 3324/4885
US-20100167933-A1 Piperazine Compounds With Herbicidal Action PRXL2A, CBR1, CBR3 XDH 1404/4885TDP2 3285/4885CASP7 1127/4885
US-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations DHPS, MC1R, MITF XDH 989/4885TDP2 2414/4885CASP7 873/4885

“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.

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