SCHEMBL6376092

SCHEMBL6376092

CC(=O)Nc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 7/20 0.56
▸ NAPRT Q6XQN6 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ NOX1 Q9Y5S8 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47

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
SCHEMBL6376088 1.00 SERPINE1 (0.56) SERPINE1NAPRTHSD17B10MAPTRAB9A
SCHEMBL8426183 0.90 KMT2A (0.48) SERPINE1NAPRTHSD17B10MAPTRAB9A
SCHEMBL8426186 0.90 KMT2A (0.48) SERPINE1NAPRTHSD17B10MAPTRAB9A
SCHEMBL8426188 0.90 KMT2A (0.48) SERPINE1NAPRTHSD17B10MAPTRAB9A
SCHEMBL6373314 0.87 ALDH1A1 (0.46) SERPINE1NAPRTHSD17B10MAPTRAB9A
SCHEMBL6374734 0.87 LRRK2 (0.55) HSD17B10MAPTRAB9AKMT2ANPC1
SCHEMBL8596135 0.87 KMT2A (0.53) SERPINE1MAPTRAB9AKMT2ANPC1
SCHEMBL8596133 0.87 KMT2A (0.53) SERPINE1MAPTRAB9AKMT2ANPC1
SCHEMBL6374742 0.87 LRRK2 (0.55) HSD17B10MAPTRAB9AKMT2ANPC1
SCHEMBL6374925 0.86 MAOA (0.44) SERPINE1NAPRTHSD17B10MAPTRAB9A

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 1257/4885NAPRT 3992/4885HSD17B10 1712/4885

“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.

Send feedback