SCHEMBL7608835

SCHEMBL7608835

COCc1cccc(N2NCC(=O)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
APP P05067 1/20 0.36
AGXT P21549 3/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
MGLL Q99685 1/20 0.34
ALOX5 P09917 1/20 0.34
NR1H3 Q13133 4/20 0.34
DHODH Q02127 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
SLC5A1 P13866 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL6735952 0.71 NPC1 (0.40) ALOX5
SCHEMBL30797233 0.69 MIF (0.41) MIFAPPAGXTBRD4CREBBP
SCHEMBL19251341 0.68 AGXT (0.71) AGXTL3MBTL1
SCHEMBL13451177 0.68 ADRB1 (0.62) AGXT
SCHEMBL791963 0.68 ALDH1A1 (0.54) BRD4L3MBTL1
SCHEMBL487468 0.67 IDO1 (0.48) AGXT
SCHEMBL13075582 0.66 MIF (0.43) MIFAPP
SCHEMBL18933602 0.65 AGXT (0.46) MIFAGXT
SCHEMBL14288609 0.65 AGXT (0.73) AGXT
SCHEMBL10059368 0.65 KDM4E (0.55) MIFAPPMGLLDHODH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof L'OREAL SA 2002-03-14 US disclosed
US-6322775-B1 FOR COLORING THE SKIN AND/OR THE HAIR; SIDE EFFECTS REDUCTION; STABILITY L'OREAL S.A. (FR) 2001-11-27 US 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-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 MIF 4679/4885APP 2077/4885AGXT 2620/4885

“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.