SCHEMBL123754

SCHEMBL123754

N#Cc1ccc(C=O)c(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.48
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HTR6 P50406 2/20 0.38
ACLY P53396 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
HSD11B1 P28845 1/20 0.37
PGR P06401 1/20 0.36
PDE4B Q07343 1/20 0.36
GRM5 P41594 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
SCHEMBL122510 0.78 RAD51 (0.53) RAD51HTTCA1CA2
SCHEMBL11615934 0.78 RAD51 (0.53) RAD51HTTACLYCA1CA2
SCHEMBL1465612 0.76 KIF18A (0.51) MAPTALDH1A1LMNATSHRHTT
SCHEMBL123078 0.75 RAD51 (0.50) RAD51MAPT
SCHEMBL709683 0.75 TSHR (0.62) ALDH1A1LMNATSHRHTTKDM4E
SCHEMBL123288 0.74 RAD51 (0.49) RAD51
SCHEMBL7387829 0.74 RAD51 (0.49) RAD51ACLYHSD11B1
SCHEMBL21046643 0.74 ACLY (0.41) MAPTALDH1A1LMNAHPGDKDM4E
SCHEMBL8802169 0.73 KDM4E (0.40) ALDH1A1LMNAHPGDKDM4EHTR6
SCHEMBL16495014 0.73 HSD11B1 (0.44) MAPTALDH1A1LMNATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-9174997-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-03 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF PH PHARMA CO., LTD. (KR) 2015-02-12 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-8889700-B2 4-(4-cyano-2-thioaryl)dihydropyrimidinones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-11-18 US disclosed
US-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed
US-20110071175-A1 Indoles and Their Therapeutic Use GB005, INC. 2011-03-24 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-02-10 US disclosed
EP-2234985-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-06 EP disclosed
EP-2229358-A1 INDOLES AND THEIR THERAPEUTIC USE Pulmagen Therapeutics (Asthma) Limited (GB) 2010-09-22 EP disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
WO-2009080199-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed
WO-2009077728-A1 INDOLES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 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 (4 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-20140045802-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885MAPT 4544/4885ALDH1A1 616/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 RAD51 1868/4885MAPT 4666/4885ALDH1A1 1510/4885
US-20150045344-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND USE THEREOF TNNI3, TNNT2, PC RAD51 4527/4885MAPT 4651/4885ALDH1A1 552/4885
US-20110034433-A1 4-(4-CYANO-2-THIOARYL)DIHYDROPYRIMIDINONES AND THEIR USE TNNI3, TNNT2, PC RAD51 4553/4885MAPT 4544/4885ALDH1A1 616/4885

“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.