SCHEMBL5311396

SCHEMBL5311396

O=Cc1c(O)ccc(O)c1Br

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.50
KDM4E B2RXH2 1/20 0.39
PTGS2 P35354 1/20 0.39
RAB9A P51151 1/20 0.39
PADI4 Q9UM07 1/20 0.37
POLB P06746 1/20 0.37
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36

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
SCHEMBL2371278 0.86 ERN1 (0.47) ERN1KDM4EPTGS2RAB9APADI4
SCHEMBL21884804 0.82 ERN1 (0.44) ERN1KDM4EPTGS2RAB9A
SCHEMBL17841523 0.82 ERN1 (0.44) ERN1KDM4EPTGS2RAB9APADI4
SCHEMBL22445291 0.82 ERN1 (0.41) ERN1KDM4EPTGS2RAB9APADI4
SCHEMBL20607903 0.82 ERN1 (0.45) ERN1KDM4EPTGS2RAB9A
SCHEMBL12865750 0.82 ERN1 (0.44) ERN1KDM4EPTGS2RAB9APADI4
SCHEMBL29111409 0.81 ERN1 (0.56) ERN1KDM4EPTGS2RAB9APADI4
SCHEMBL31056823 0.79 SELL (0.45) ERN1KDM4EPTGS2
SCHEMBL23834937 0.78 ERN1 (0.41) ERN1
SCHEMBL31094206 0.78 ERN1 (0.59) ERN1TRIM24TRIM33

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
EP-2740734-B1 HCV PROTEASE INHIBITORS SHANGHAI TANGRUN PHARMACEUTICALS CO LTD (CN) 2017-09-06 EP disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US disclosed
US-8969373-B2 HCV protease inhibitors Shanghai Tangrun Pharmaceuticals Co., Ltd. (CN) 2015-03-03 US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
US-20140163219-A1 HCV Protease Inhibitors SHANGHAI TANGRUN PHARMACEUTICALS, CO., LTD. (CN) 2014-06-12 US disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 EP disclosed
EP-2740734-A1 HCV PROTEASE INHIBITORS Shanghai Tangrun Pharmaceuticals, Co. Ltd (CN) 2014-06-11 EP disclosed
WO-2013114040-A1 NOVEL COMPOUNDS AND COMPOSITIONS USED AS ANTICANCER AGENTS UNIVERSITE PARIS DIDEROT - PARIS 7 (FR) 2013-08-08 WO disclosed
WO-2013114040-A1 NOVEL COMPOUNDS AND COMPOSITIONS USED AS ANTICANCER AGENTS UNIVERSITE PARIS DIDEROT - PARIS 7 (FR) 2013-08-08 WO disclosed
CN-102911254-A HCV (hepatitis C virus) protease inhibitor SHANGHAI TANGRUN MEDICAL TECHNOLOGY CO LTD 2013-02-06 CN disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed
WO-2007039609-A1 PYRANODIBENZOFURAN DERIVATIVES WITH ANTIFUNGAL AND ANTIBACTERIAL ACTIVITY INSTITUT PASTEUR (FR) 2007-04-12 WO disclosed
US-6943191-B1 Disubstituted lavendustin A analogs and pharmaceutical composition comprising the analogs THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-09-13 US disclosed
EP-1367046-A9 Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-05-12 EP disclosed
EP-1367046-A1 Disubstituted lavendustin A analogs and pharmaceutical compositions comprising the analogs THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2003-12-03 EP disclosed
EP-1060160-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-12-20 EP disclosed
WO-1999043636-A2 DISUBSTITUTED LAVENDUSTIN A ANALOGS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE ANALOGS THE UNITED STATES OF AMERICA AS REPRESENTED BY THESECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-09-02 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-20140163219-A1 HCV Protease Inhibitors CPN1, CTRL, CTSZ ERN1 644/4885KDM4E 3281/4885PTGS2 3349/4885

“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.