SCHEMBL1784387

SCHEMBL1784387

COC1=C(OC)C(=O)C(C(=O)Nc2ccccc2)=C(C)C1=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
CISD2 Q8N5K1 1/20 0.44
NLRP3 Q96P20 1/20 0.43
GAA P10253 4/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL1786814 0.76 TAAR1 (0.56) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL8569858 0.68 APEX1 (0.49) IDO1RAB9ASMN1; SMN2HPGDHTT
SCHEMBL2362772 0.67 KMT2A (0.82) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL2919439 0.67 RAB9A (0.87) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL10061327 0.67 HPGD (0.70) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL3956696 0.66 MEN1 (0.88) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL1505400 0.66 KMT2A (0.68) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL282531 0.66 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL9158426 0.65 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2HPGDKMT2A
SCHEMBL11413702 0.65 SMN1; SMN2 (0.64) RAB9ANPC1SMN1; SMN2HPGDKMT2A

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
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 US claimed
EP-2262508-B1 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES BIOELECTRON TECH CORP (US) 2018-10-03 EP disclosed
US-9090576-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-8716527-B2 2-substituted-p-quinone derivatives for treatment of oxidative stress diseases EDISON PHARMACEUTICALS, INC. (US) 2014-05-06 US disclosed
US-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES PTC THERAPEUTICS, INC. 2011-05-26 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 (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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 IDO1 2145/4885RAB9A 1059/4885NPC1 1018/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 IDO1 2145/4885RAB9A 1059/4885NPC1 1018/4885

“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.