SCHEMBL28705

SCHEMBL28705

O=C1c2ccccc2C(=O)c2oc(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 4/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CDC25B P30305 1/20 0.48
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
MCL1 Q07820 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPRC P08575 4/20 0.42
BCL2 P10415 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL29339219 0.87 STAT3 (0.38) STAT3ALDH1A1POLBMAPTMCL1
SCHEMBL6577994 0.80 STAT3 (0.61) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL16167166 0.76 STAT3 (0.56) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL30139971 0.76 STAT3 (0.56) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL19669614 0.74 STAT3 (0.59) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL18691830 0.73 STAT3 (0.53) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL30422 0.73 STAT3 (0.57) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL12640092 0.73 STAT3 (0.53) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL1887185 0.73 STAT3 (0.69) STAT3ALDH1A1MEN1KMT2ACDC25B
SCHEMBL10068407 0.73 ALDH1A1 (0.53) STAT3ALDH1A1MEN1KMT2ACDC25B

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 STAT3 3344/4885ALDH1A1 114/4885MEN1 722/4885
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 STAT3 1764/4885ALDH1A1 282/4885MEN1 1695/4885

“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.