SCHEMBL746009

SCHEMBL746009

COc1cc(F)cc(OC)c1C=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.50
PRKDC P78527 1/20 0.45
ALDH1A1 P00352 7/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
MAOA P21397 1/20 0.39
HPGD P15428 2/20 0.38
AOX1 Q06278 1/20 0.38
TRIM24 O15164 1/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NFE2L2 Q16236 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18366 0.90 ERN1 (0.46) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL27181737 0.88 ERN1 (0.44) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL31673953 0.86 PRKDC (0.52) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL15348467 0.86 ERN1 (0.66) ERN1PRKDCALDH1A1TSHRTDP1
2,4,6-Trimethoxybenzaldehyde SCHEMBL34873 0.79 ERN1 (0.74) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL439961 0.79 ERN1 (0.52) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL415683 0.79 ERN1 (0.57) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL18131771 0.79 ALDH1A1 (0.52) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL13362398 0.79 ALDH1A1 (0.59) ERN1PRKDCALDH1A1TSHRTDP1
SCHEMBL28356752 0.78 MAOA (0.48) ERN1ALDH1A1LMNAMAOANFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002497-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2025-01-02 US disclosed
CN-108383858-B Derivatives of imidazothiadiazoles and imidazopyrazines for the treatment of platelet aggregation 百时美施贵宝公司 2024-09-20 CN disclosed
US-12084452-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2024-09-10 US disclosed
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
EP-3632919-B1 PHARMACEUTICAL COMPOISITIONS COMPRISING IMIDAZOTHIADIAZOLE AND IMIDAZOPYRIDAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION BRISTOL MYERS SQUIBB CO (US) 2022-10-26 EP disclosed
CN-110770233-B Fused bicyclic compound and application thereof in medicine 广东东阳光药业有限公司 2022-07-26 CN disclosed
CN-108368087-B 2, 4-dihydroxy-nicotinamide as APJ agonists 百时美施贵宝公司 2022-04-12 CN disclosed
CN-107922401-B 4-hydroxy-3- (heteroaryl) pyridin-2-one APJ agonists for the treatment of cardiovascular disorders 百时美施贵宝公司 2021-04-16 CN disclosed
CN-111153817-B phenoxy-N-phenylaniline derivatives and application thereof 四川大学 2021-02-02 CN disclosed
US-10822343-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-03 US disclosed
WO-2010131191-A1 THIAZOLIDIN-4-ONE AND [1,3]-THIAZINAN-4-ONE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-18 WO disclosed
US-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS EPR PHARMACEUTICALS PVT.LTD 2010-06-17 US disclosed
US-6642410-B2 Useful as antiproliferative agents, including, for example, anticancer agents TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2003-11-04 US disclosed
EP-1305015-A4 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS UNIV TEMPLE (US) 2003-05-21 EP disclosed
EP-1305015-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS Temple University of the Commonwealth System of Higher Education (US) 2003-05-02 EP disclosed
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents REDDY E PREMKUMAR (US) 2003-02-20 US disclosed
US-6486210-B2 SUCH AS ENANTIOMORPHS OF 4-FLUOROSTYRYL-2,3,4,5,6-PENTAFLUOROBENZYLSULFONE; ANTIPROLIFERATIVE/ANTICANCER AGENTS Temple University—Of the Commonwealth System of Higher Education 2002-11-26 US disclosed
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2002-08-22 US disclosed
WO-2001078712-A1 SUBSTITUTED STYRYL BENZYLSULFONES FOR TREATING PROLIFERATIVE DISORDERS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2001-10-25 WO disclosed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP 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 (7 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-20100152491-A1 PROCESSES FOR PREPARING (E)-STYRYLBENZYLSULFONE COMPOUNDS AND USES THEREOF FOR TREATING PROLIFERATIVE DISORDERS PCNA, CDC25B, CCNB1 ERN1 1135/4885PRKDC 431/4885ALDH1A1 926/4885
US-20030036536-A1 Useful as antiproliferative agents, including, for example, anticancer agents MKI67, MCL1, CCNA1 ERN1 865/4885PRKDC 1410/4885ALDH1A1 375/4885
US-20020115643-A1 Substituted styryl benzylsulfones for treating proliferative disorders HCCS, CCNO, HRAS ERN1 1743/4885PRKDC 982/4885ALDH1A1 2713/4885
US-20230242535-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, TMPRSS4 ERN1 2932/4885PRKDC 2804/4885ALDH1A1 2611/4885
US-12084452-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4 (PAR4) inhibitors for treating platelet aggregation F2RL3, F2R, TMPRSS4 ERN1 2932/4885PRKDC 2804/4885ALDH1A1 2611/4885
US-10822343-B2 Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor4 (PAR4) inhibitors for treating platelet aggregation F2RL3, TMPRSS4, F2R ERN1 2859/4885PRKDC 2841/4885ALDH1A1 2559/4885
US-20250002497-A1 IMIDAZOTHIADIAZOLE AND IMIDAZOPYRAZINE DERIVATIVES AS PROTEASE ACTIVATED RECEPTOR 4 (PAR4) INHIBITORS FOR TREATING PLATELET AGGREGATION F2RL3, F2R, TMPRSS4 ERN1 2948/4885PRKDC 2767/4885ALDH1A1 2524/4885

“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.