SCHEMBL16144682

SCHEMBL16144682

COC(=O)Cn1ccc(Br)cc1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
KAT2B Q92831 1/20 0.42
KDM4E B2RXH2 3/20 0.41
PSMB5 P28074 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 4/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL13837758 0.84 GSK3A (0.45) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL16137958 0.83 HDAC6 (0.53) KDM4EPSMB5ALDH1A1KMT2AMCL1
SCHEMBL9609771 0.82 KAT2B (0.43) KAT2BKDM4EPSMB5SMN1; SMN2GAA
SCHEMBL17512273 0.80 HDAC6 (0.45) KDM4EPSMB5ALDH1A1MEN1KMT2A
SCHEMBL15469110 0.78 MAPT (0.43) KAT2BKDM4EPSMB5SMN1; SMN2GAA
SCHEMBL24803269 0.77 GRIN2B (0.42) KMT2A
SCHEMBL21810438 0.77 KDM4E (0.48) CASP3KDM4EPSMB5SMN1; SMN2ALDH1A1
SCHEMBL21810428 0.77 NTSR1 (0.57) CASP3PSMB5ATM
SCHEMBL21218000 0.77 SMN1; SMN2 (0.51) KDM4EPSMB5SMN1; SMN2GAAALDH1A1
SCHEMBL13552201 0.77 CES1 (0.47) PSMB5GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI CASP3 1374/4885KAT2B 1214/4885KDM4E 1035/4885

“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.