SCHEMBL7606899

SCHEMBL7606899

CCCCCCCCN1NC(c2ccccc2)C(=O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
CNR2 P34972 3/20 0.40
CES1 P23141 2/20 0.40
CDC25A P30304 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
KCNH2 Q12809 2/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
GRM2 Q14416 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
SCHEMBL6730883 0.82 LMNA (0.50) LMNAADORA3ALDH1A1
SCHEMBL6735933 0.74 HPGD (0.43) LMNAADORA3ALDH1A1
SCHEMBL7606920 0.73 MGLL (0.39) FAAHCNR2CES1CDC25ACNR1
SCHEMBL6736095 0.73 LMNA (0.42) LMNAADORA3ALDH1A1
SCHEMBL22265963 0.72 LMNA (0.68) FAAHCNR2CES1CDC25ACNR1
SCHEMBL11111069 0.72 LMNA (0.55) FAAHCNR2CDC25ACNR1LMNA
SCHEMBL6936100 0.71 FAAH (0.44) FAAHCNR2CDC25ACNR1LMNA
SCHEMBL7829770 0.69 ATM (0.48) CNR2CNR1SLC6A9SLC6A5
SCHEMBL14560424 0.68 CNR2 (0.65) FAAHCNR2CES1CDC25ACNR1
SCHEMBL428093 0.68 GBA1 (0.50) FAAHCNR2CES1CDC25ACNR1

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 5 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
EP-0888306-B1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF OREAL (FR) 2001-07-25 EP disclosed
EP-0888306-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1999-01-07 EP disclosed
WO-1997035842-A1 COSMETIC COMPOSITIONS CONTAINING PYRAZOLIN-4,5-DIONES, NOVEL PYRAZOLIN-4,5-DIONES, PREPARATION METHODS THEREFOR AND USES THEREOF L'OREAL (FR) 1997-10-02 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-20020031536-A1 Cosmetic compositions based on 4,5-pyrazolinediones, novel 4,5-pyrazolinediones, process for their preparation and uses thereof PPARD, PLIN5, PDK4 FAAH 3380/4885CNR2 2663/4885CES1 2137/4885

“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.