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SCHEMBL1782898

SCHEMBL1782898

CC(=O)N1CCN(C(=O)C(C)CCC2=C(C)C(=O)C(C)=C(C)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 1/20 0.37
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CDC25B P30305 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MMP2 P08253 1/20 0.31
▸ ADAMTS5 Q9UNA0 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ F2 P00734 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL1785284 0.85 CYP3A4 (0.47) CYP3A4CYP2C19KMT2AGAA
SCHEMBL1656645 0.84 DPP4 (0.37) PTPN2PTPN1CDC25BIDO1ADAMTS5
SCHEMBL1785103 0.84 DPP4 (0.37) PTPN2PTPN1CDC25BIDO1ADAMTS5
SCHEMBL1786550 0.74 AR (0.39) CYP1A2TDP1KMT2AGAAALOX15
SCHEMBL1658993 0.73 KMT2A (0.39) HSD17B10CYP1A2TDP1KMT2A
SCHEMBL25015600 0.72 PTPN2 (0.42) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1785701 0.72 PTPN2 (0.42) PTPN2PTPN1CDC25BIDO1ALOX15
SCHEMBL1785755 0.72 ALOX15 (0.41) PIK3CDPTPN2PTPN1CDC25BCYP1A2
SCHEMBL2059424 0.71 ALOX15 (0.43) PIK3CDPTPN2PTPN1CDC25BCYP1A2
SCHEMBL1187895 0.71 ALOX15 (0.43) PIK3CDPTPN2PTPN1CDC25BCYP1A2

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-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
EP-2262508-A2 SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES Edison Pharmaceuticals, Inc. (US) 2010-12-22 — — EP disclosed
WO-2009111576-A2 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES EDISON PHARMACEUTICALS, INC. (US) 2009-09-11 — — 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-20110124679-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PIK3CD 1676/4885PTPN2 3616/4885PTPN1 4024/4885
US-20140329860-A1 2-SUBSTITUTED-p-QUINONE DERIVATIVES FOR TREATMENT OF OXIDATIVE STRESS DISEASES NQO1, TXNRD2, MT-ND2 PIK3CD 1676/4885PTPN2 3616/4885PTPN1 4024/4885

“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.