SCHEMBL7606142

SCHEMBL7606142

CCOC(=O)C1=NN(c2ccc(Cl)cc2)C(=O)C1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
ALDH1A1 P00352 6/20 0.51
CDC25B P30305 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 4/20 0.49
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 2/20 0.47
P2RY12 Q9H244 1/20 0.45
GAA P10253 1/20 0.43
PTGS2 P35354 1/20 0.43

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
SCHEMBL6728136 0.90 ALDH1A1 (0.49) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6727745 0.86 ALDH1A1 (0.60) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL7612002 0.85 PDE4D (0.50) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6732799 0.85 MAPT (0.44) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4830389 0.79 KDM4E (0.63) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6732362 0.78 MEN1 (0.41) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6733808 0.76 ALDH1A1 (0.47) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6727834 0.74 KMT2A (0.66) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL4826745 0.74 MAPT (0.57) KDM4EMAPTNPC1RAB9AALDH1A1
SCHEMBL6932800 0.74 KDM4E (0.57) KDM4EMAPTNPC1RAB9AALDH1A1

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 KDM4E 626/4885MAPT 3025/4885NPC1 3698/4885

“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.