SCHEMBL7606154

SCHEMBL7606154

CC(C)(C)N1N=C(c2ccn[nH]2)C(=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
COMT P21964 5/20 0.37
LRRK2 Q5S007 3/20 0.34
MAPT P10636 2/20 0.33
SCN4A P35499 2/20 0.33
POLB P06746 2/20 0.33
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDPK1 O15530 1/20 0.33
HPGDS O60760 2/20 0.32
PTPN11 Q06124 1/20 0.32
MAPK1 P28482 1/20 0.31
NOTUM Q6P988 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL7610771 0.79 COMT (0.43) COMTLRRK2MAPTSCN4APOLB
SCHEMBL7610118 0.75 COMT (0.41) COMTLRRK2MAPTSCN4APOLB
SCHEMBL7609894 0.75 COMT (0.37) COMTLRRK2MAPTSCN4APOLB
SCHEMBL6738532 0.73 SMN1; SMN2 (0.41) COMTLRRK2MAPTPOLBNPC1
SCHEMBL6933828 0.69 COMT (0.34) COMTLRRK2MAPTSCN4APOLB
SCHEMBL6736429 0.66 ALDH1A1 (0.35) MAPTPOLBNPC1ALDH1A1RAB9A
SCHEMBL3068150 0.61 SCN4A (0.62) COMTSCN4APOLBNPC1ALDH1A1
SCHEMBL863096 0.58 COMT (0.49) COMTMAPTSCN4APOLBNPC1
SCHEMBL14213215 0.58 COMT (0.44) COMTMAPTSCN4APOLBNPC1
SCHEMBL10311042 0.57 POLB (0.57) MAPTSCN4APOLBNPC1ALDH1A1

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 COMT 4267/4885LRRK2 3897/4885MAPT 3025/4885

“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.