SCHEMBL346530

SCHEMBL346530

O=C(O)c1sc2ccccc2c1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.62
PTGS2 P35354 2/20 0.62
PRNP P04156 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LIMK1 P53667 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
IKBKB O14920 1/20 0.49
MAOB P27338 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
MAOA P21397 1/20 0.45
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
EDNRA P25101 1/20 0.44
OGG1 O15527 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL16599338 0.86 PTGS2 (0.59) MCL1PTGS2PRNPRXFP1LIMK1
SCHEMBL347996 0.83 LIMK1 (0.66) MCL1PTGS2PRNPRXFP1LIMK1
SCHEMBL30980091 0.83 PTGS2 (0.56) MCL1PTGS2PRNPRXFP1LIMK1
SCHEMBL2503631 0.83 PTGS2 (0.56) MCL1PTGS2PRNPRXFP1LIMK1
SCHEMBL1805430 0.79 LMNA (0.69) MCL1PTGS2LIMK1HDAC1HDAC8
SCHEMBL941112 0.78 MCL1 (0.65) MCL1PTGS2PRNPRXFP1LIMK1
SCHEMBL647033 0.78 MCL1 (0.65) MCL1PRNPRXFP1LIMK1IKBKB
SCHEMBL29664668 0.78 MCL1 (0.65) MCL1PTGS2PRNPRXFP1LIMK1
SCHEMBL347478 0.77 PTGS2 (1.00) PTGS2HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1919937 0.77 LIMK1 (0.73) MCL1PTGS2PRNPRXFP1LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591588-A RAS inhibitors 泰励生物科技(上海)有限公司 2025-03-11 CN disclosed
CN-116768951-A DNA encoding compound containing aromatic nitrogen-containing skeleton, synthesis method thereof and DNA encoding compound library 苏州阿尔脉生物科技有限公司 2023-09-19 CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 WO disclosed
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN disclosed
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE DEUTSCHLAND (DE) 2018-12-06 US disclosed
US-9879033-B2 Modulators of 5-HT receptors and methods of use thereof AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-30 US disclosed
US-9869027-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
EP-2571353-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2017-08-09 EP disclosed
US-20160230289-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2016-08-11 US disclosed
US-9340759-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-17 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US disclosed
US-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 US disclosed
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-05-19 US disclosed
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-11-25 US disclosed
EP-1761524-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2007-03-14 EP disclosed
WO-2006072430-A1 PHENYL DIAZEPANE CARBOXAMIDES AND ANNELATED PHENYL PIPERAZINE CARBOXAMIDES CONTAINING OXYGEN AND USED AS DOPAMINE D3 ANTAGONISTS SCHWARZ PHARMA AG (DE) 2006-07-13 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 (5 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-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF PTGER2, PTGES2, PTGIR MCL1 2051/4885PTGS2 4/4885PRNP 2755/4885
US-20100298292-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C MCL1 4026/4885PTGS2 445/4885PRNP 922/4885
US-20110118231-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C MCL1 4026/4885PTGS2 445/4885PRNP 922/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 MCL1 1754/4885PTGS2 644/4885PRNP 3713/4885
US-20180346484-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR3A, HTR5A, HTR3C MCL1 4026/4885PTGS2 445/4885PRNP 922/4885

“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.