SCHEMBL6374936

SCHEMBL6374936

CC(=O)Nc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3Br)[nH]c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ MAPT P10636 6/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ SERPINE1 P05121 7/20 0.42
▸ MAPK1 P28482 1/20 0.40
▸ NOX1 Q9Y5S8 1/20 0.40
▸ NAPRT Q6XQN6 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6374925 1.00 MAOA (0.44) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL9285320 0.91 SERPINE1 (0.39) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6376088 0.86 SERPINE1 (0.56) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6376092 0.86 SERPINE1 (0.56) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6371821 0.85 SMN1; SMN2 (0.46) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6371814 0.85 SMN1; SMN2 (0.46) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6380177 0.82 MAOA (0.43) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6380185 0.82 MAOA (0.43) MAOAMAOBKMT2AMAPTMEN1
SCHEMBL6375176 0.80 SERPINE1 (0.54) KMT2AMAPTMEN1POLBSERPINE1
SCHEMBL6375172 0.80 SERPINE1 (0.54) KMT2AMAPTMEN1POLBSERPINE1

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
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 MAOA 987/4885MAOB 679/4885KMT2A 2491/4885

“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