SCHEMBL6378954

SCHEMBL6378954

COc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3[N+](=O)[O-])[nH]c2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.69
▸ MAPT P10636 6/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP19A1 P11511 2/20 0.50
▸ TDP2 O95551 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP9 P55211 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CASP8 Q14790 1/20 0.47
▸ XDH P47989 2/20 0.44
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL6378946 1.00 SERPINE1 (0.69) SERPINE1MAPTALDH1A1KDM4ECYP19A1
SCHEMBL6378438 0.87 XDH (0.52) SERPINE1MAPTALDH1A1TDP2CASP7
SCHEMBL2793267 0.87 XDH (0.52) SERPINE1MAPTALDH1A1TDP2CASP7
SCHEMBL9435622 0.85 SERPINE1 (0.52) SERPINE1MAPTALDH1A1KDM4ECYP19A1
SCHEMBL9183923 0.85 SERPINE1 (0.49) SERPINE1MAPTALDH1A1KDM4ECYP19A1
SCHEMBL9187972 0.85 SERPINE1 (0.52) SERPINE1MAPTALDH1A1KDM4ECYP19A1
SCHEMBL9435639 0.85 SERPINE1 (0.49) SERPINE1MAPTALDH1A1KDM4ECYP19A1
SCHEMBL6372616 0.83 SERPINE1 (1.00) SERPINE1MAPTNPC1RAB9A
SCHEMBL6372620 0.83 SERPINE1 (1.00) SERPINE1MAPTNPC1RAB9A
SCHEMBL8494168 0.82 SERPINE1 (0.52) SERPINE1MAPT

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 8 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-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations BASF AKTIENGESELLSCHAFT (DE) 2005-11-10 — — 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 (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-20050249681-A1 Use of diketopiperazine derivatives as photostable uv-filters in cosmetic and pharmaceutical preparations DHPS, MC1R, MITF SERPINE1 1257/4885MAPT 820/4885ALDH1A1 1206/4885

“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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