SCHEMBL6373545

SCHEMBL6373545

COc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3Br)[nH]c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.72
▸ CYP26A1 O43174 1/20 0.45
▸ CYP27A1 Q02318 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ DYRK1A Q13627 4/20 0.42
▸ DYRK1B Q9Y463 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ CLK1 P49759 3/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL6373541 1.00 SERPINE1 (0.72) SERPINE1CYP26A1CYP27A1EGFRDYRK1A
SCHEMBL6375172 0.84 SERPINE1 (0.54) SERPINE1MAPTALPIHRH3
SCHEMBL6375176 0.84 SERPINE1 (0.54) SERPINE1MAPTALPIHRH3
SCHEMBL6372616 0.84 SERPINE1 (1.00) SERPINE1DYRK1AMAPTMETAP1CLK1
SCHEMBL6372620 0.84 SERPINE1 (1.00) SERPINE1DYRK1AMAPTMETAP1CLK1
SCHEMBL6373614 0.81 SERPINE1 (0.67) SERPINE1MAPTNPC1RAB9A
SCHEMBL6373616 0.81 SERPINE1 (0.67) SERPINE1MAPTNPC1RAB9A
SCHEMBL8495240 0.80 SERPINE1 (0.53) SERPINE1HRH3
SCHEMBL8495252 0.80 SERPINE1 (0.53) SERPINE1HRH3
SCHEMBL6378954 0.80 SERPINE1 (0.69) SERPINE1MAPTNPC1RAB9A

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 1257/4885CYP26A1 572/4885CYP27A1 1689/4885

“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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