SCHEMBL29422

SCHEMBL29422

COc1c2ccccc2c(OC)c2sccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.44
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
MCL1 Q07820 1/20 0.35
CYP2C19 P33261 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
TUBB4A P04350 5/20 0.34
TUBB P07437 5/20 0.34
TUBA3C P0DPH7 5/20 0.34
TUBA1B P68363 5/20 0.34
TUBA4A P68366 5/20 0.34
TUBB4B P68371 5/20 0.34
TUBB3 Q13509 5/20 0.34
TUBB2A Q13885 5/20 0.34

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
SCHEMBL12700187 0.89 KDM4E (0.40) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL52405 0.78 ALDH1A1 (1.00) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL29366129 0.78 ALDH1A1 (1.00) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL9825607 0.77 ALDH1A1 (0.40) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL11610147 0.77 TUBB4A (0.47) KDM4EALDH1A1MAPK1SMN1; SMN2TUBB4A
Iodide SCHEMBL5967814 0.75 ALDH1A1 (0.94) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL15499817 0.74 MAPT (0.40) MAPTTSHR
SCHEMBL16747883 0.71 KDM4E (0.58) KDM4EALDH1A1MAPK1SMN1; SMN2POLB
SCHEMBL15498566 0.71 MAPT (0.35) KDM4EMAPTTSHR
SCHEMBL30099100 0.70 TNKS (0.41) KDM4EALDH1A1MAPTTSHRADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153975-B Novel naphthoquinones for use in the treatment of disease Hangzhou Yier Biological Technology Co.,Ltd. (CN) 2016-01-20 CN disclosed
US-8871802-B2 Naphthoquinones for disease therapies ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2014-10-28 US disclosed
US-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2013-06-13 US disclosed
CN-103153975-A Novel naphthoquinones for use in the treatment of disease ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO LTD 2013-06-12 CN disclosed
WO-2012024818-A1 NOVEL ANPHTHOQUINONES FOR DISEASE THERAPIES ZHOUSHAN HAIZHONGZHOU XINSHENG PHARMACEUTICALS CO., LTD. (CN) 2012-03-01 WO disclosed
EP-1093456-B1 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2003-12-17 EP disclosed
US-6337346-B1 BENZODITHIOPHENE DERIVATIVES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-01-08 US disclosed
EP-1093456-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-04-25 EP disclosed
US-6174913-B1 TREATING TUMOR BY ADMINISTERING COMPOUNDS E.G.:2-ACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE; 2,7-DIACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-01-16 US disclosed
WO-1999062909-A9 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIV NORTH CAROLINA (US) 2000-04-27 WO disclosed
WO-1999062909-A2 NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-09 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 (1 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-20130150437-A1 NAPHTHOQUINONES FOR DISEASE THERAPIES NQO1, NME2, CYP27B1 KDM4E 2313/4885ALDH1A1 282/4885MAPK1 2378/4885

“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.