SCHEMBL4654946

SCHEMBL4654946

O=C1COc2cc(C(=O)c3ccccc3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.61
ALDH1A1 P00352 4/20 0.60
AKR1C3 P42330 1/20 0.60
AKR1C2 P52895 1/20 0.60
AKR1C1 Q04828 1/20 0.60
LMNA P02545 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PKM P14618 1/20 0.50
NSD2 O96028 2/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4654077 0.89 GAA (0.76) GAAALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL941445 0.85 GAA (0.56) GAAALDH1A1LMNAMAPTPKM
SCHEMBL7349545 0.81 ALDH1A1 (0.52) GAAALDH1A1LMNAMAPTPKM
SCHEMBL3283784 0.81 ALDH1A1 (0.56) GAAALDH1A1LMNAMAPTPKM
SCHEMBL30444601 0.79 KMT2A (0.62) ALDH1A1NPC1RAB9AMAPTNSD2
SCHEMBL4653945 0.78 GAA (0.45) GAAALDH1A1LMNAMAPTPKM
SCHEMBL20074155 0.78 ALDH1A1 (0.49) GAAALDH1A1LMNANPC1RAB9A
SCHEMBL14072996 0.78 TSHR (0.61) ALDH1A1LMNARAB9AMAPTPRMT5
SCHEMBL7348989 0.77 MAPT (0.63) GAAALDH1A1LMNAMAPTNPSR1
SCHEMBL10538281 0.77 ALDH1A1 (0.59) GAAALDH1A1MAPTPKMNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844029-B1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS HYPOGLYCAEMIC OR HYPOLIPIDEMIC AGENTS SERVIER LAB (FR) 2008-11-12 EP disclosed
US-20080113974-A1 Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them. LES LABORATOIRES SERVIER (FR) 2008-05-15 US disclosed
EP-1844029-A1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS HYPOGLYCAEMIC OR HYPOLIPIDEMIC AGENTS Les Laboratoires Servier (FR) 2007-10-17 EP disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof PARALLEL WIRELESS, INC. 2007-03-08 US disclosed
WO-2006079720-A1 NOVEL HETEROCYCLIC OXIME DERIVATIVES, METHOD FOR PREPARING SAME AND USE THEREOF AS HYPOGLYCAEMIC OR HYPOLIPIDEMIC AGENTS LES LABORATOIRES SERVIER (FR) 2006-08-03 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 (2 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-20080113974-A1 Heterocyclic Oxime Compounds, A Process For Their Preparation And Pharmaceutical Compositions Containing Them. CBR1, CYP3A7, CYP2C9 GAA 2685/4885ALDH1A1 521/4885AKR1C3 115/4885
US-20070054899-A1 Aromatase inhibitor compounds and uses thereof CYP19A1, CYP17A1, HSD17B11 GAA 1112/4885ALDH1A1 207/4885AKR1C3 86/4885

“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.