SCHEMBL6375172

SCHEMBL6375172

O=c1[nH]/c(=C\c2ccccc2Br)c(=O)[nH]/c1=C\c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 7/20 0.54
▸ IKBKB O14920 1/20 0.46
▸ DYRK2 Q92630 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ HSD11B1 P28845 2/20 0.45
▸ CYP2D6 P10635 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ FGFR3 P22607 1/20 0.38

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
SCHEMBL6375176 1.00 SERPINE1 (0.54) SERPINE1IKBKBDYRK2CYP1A2CYP2C9
SCHEMBL6373545 0.84 SERPINE1 (0.72) SERPINE1HRH3MAPTALPI
SCHEMBL6373541 0.84 SERPINE1 (0.72) SERPINE1HRH3MAPTALPI
SCHEMBL6373509 0.84 SERPINE1 (0.70) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL6380159 0.84 SERPINE1 (0.70) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL6373505 0.84 SERPINE1 (0.70) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL6374577 0.80 SERPINE1 (0.54) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL6374581 0.80 SERPINE1 (0.54) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL6374936 0.80 MAOA (0.44) SERPINE1MAPTPOLBMEN1KMT2A
SCHEMBL6374925 0.80 MAOA (0.44) SERPINE1MAPTPOLBMEN1KMT2A

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 7 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
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 1257/4885IKBKB 941/4885DYRK2 1708/4885

“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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