SCHEMBL28458

SCHEMBL28458

CSc1cc2c(o1)C(=O)c1ccccc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
STAT3 P40763 4/20 0.56
CDC25B P30305 2/20 0.47
MAP2K7 O14733 1/20 0.47
CDC25A P30304 1/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
S100A4 P26447 3/20 0.42
SOAT1 P35610 1/20 0.41
ELANE P08246 1/20 0.40
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
MAPT P10636 5/20 0.37
RAB9A P51151 5/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 3/20 0.37
APAF1 O14727 2/20 0.37
MITF O75030 1/20 0.37
NPC1 O15118 4/20 0.37

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
SCHEMBL18391645 0.80 TDP2 (0.46) CDC25BKMT2AMEN1S100A4ATG4B
SCHEMBL6577994 0.76 STAT3 (0.61) ALDH1A1STAT3CDC25BCDC25AKMT2A
SCHEMBL30422 0.73 STAT3 (0.57) ALDH1A1STAT3CDC25BKMT2AMEN1
SCHEMBL29365382 0.73 STAT3 (0.69) ALDH1A1STAT3CDC25BKMT2AMEN1
SCHEMBL1887185 0.73 STAT3 (0.69) ALDH1A1STAT3CDC25BKMT2AMEN1
SCHEMBL16167166 0.72 STAT3 (0.56) ALDH1A1STAT3CDC25BKMT2AMEN1
SCHEMBL28705 0.72 STAT3 (0.56) ALDH1A1STAT3CDC25BKMT2AMEN1
SCHEMBL45695 0.71 STAT3 (0.56) ALDH1A1STAT3CDC25BKMT2AMEN1
SCHEMBL22325627 0.71 ALDH1A1 (0.56) ALDH1A1STAT3CDC25BCDC25AKMT2A
SCHEMBL1885714 0.71 ALDH1A1 (0.56) ALDH1A1STAT3CDC25BKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109206390-B Furanaphthoquinone-based sulfoximine derivative and application thereof in manufacturing STAT3 inhibitor 北京大学 2021-04-27 CN disclosed
US-9150530-B2 Esters of 4, 9-dihydroxy-naphtho [2, 3-b] furans for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2015-10-06 US disclosed
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
EP-2681203-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES Zhoushan Haizhongzhou Xinsheng Pharmaceuticals Co., Ltd. (CN) 2014-01-08 EP disclosed
US-20130345176-A1 NOVEL ESTERS OF 4, 9-DIHYDROXY-NAPHTHO [2, 3-b] FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-12-26 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
WO-2012119265-A1 NOVEL ESTERS OF 4,9-DIHYDROXY-NAPHTHO[2,3-b]FURANS FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-09-13 WO disclosed
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 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-20130345176-A1 NOVEL ESTERS OF 4, 9-DIHYDROXY-NAPHTHO [2, 3-b] FURANS FOR DISEASE THERAPIES CYP46A1, HSD3B2, HSD3B1 ALDH1A1 114/4885STAT3 3344/4885CDC25B 1092/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 ALDH1A1 282/4885STAT3 1764/4885CDC25B 358/4885

“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.