SCHEMBL6373498

SCHEMBL6373498

COc1ccc(C=c2[nH]c(=O)c(=Cc3ccc4ccccc4c3)[nH]c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 4/20 0.76
▸ ALOX5 P09917 2/20 0.51
▸ ABCB1 P08183 1/20 0.50
▸ NQO2 P16083 2/20 0.48
▸ PADI4 Q9UM07 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ METAP1 P53582 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL6373495 1.00 SERPINE1 (0.76) SERPINE1ALOX5ABCB1NQO2PADI4
SCHEMBL6372620 0.86 SERPINE1 (1.00) SERPINE1CYP1A2MAPTMETAP1
SCHEMBL6372616 0.86 SERPINE1 (1.00) SERPINE1CYP1A2MAPTMETAP1
SCHEMBL8424648 0.83 SERPINE1 (0.67) SERPINE1PADI4CYP2A6KDM4EALDH1A1
SCHEMBL8424640 0.83 SERPINE1 (0.67) SERPINE1PADI4CYP2A6KDM4EALDH1A1
SCHEMBL6376547 0.81 SERPINE1 (0.68) SERPINE1NQO2CYP1A2ALDH1A1GAA
SCHEMBL6376553 0.81 SERPINE1 (0.68) SERPINE1NQO2CYP1A2ALDH1A1GAA
SCHEMBL8426199 0.79 SERPINE1 (0.55) SERPINE1KDM4EALDH1A1
SCHEMBL8426195 0.79 SERPINE1 (0.55) SERPINE1KDM4EALDH1A1
SCHEMBL6379183 0.79 SERPINE1 (0.74) SERPINE1ALOX5ALDH1A1MAPTMETAP1

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 1257/4885ALOX5 1696/4885ABCB1 3417/4885

“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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