SCHEMBL17477804

SCHEMBL17477804

COC(=O)c1ccc(N)c(NC(=O)C(Cc2ccccc2)c2ccc(Br)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 17/20 0.57
ERAP2 Q6P179 7/20 0.46
ERAP1 Q9NZ08 1/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL19278111 0.93 LNPEP (0.57) LNPEPERAP2ERAP1HDAC1HDAC3
SCHEMBL17477801 0.91 LNPEP (0.47) LNPEPERAP2ERAP1HDAC1HDAC3
SCHEMBL17477813 0.91 LNPEP (0.53) LNPEPERAP2ERAP1HDAC1HDAC3
SCHEMBL17477796 0.85 HDAC1 (0.45) LNPEPHDAC1HDAC3HDAC2HDAC10
SCHEMBL17480676 0.84 LNPEP (0.47) LNPEPERAP2ERAP1HDAC1HDAC3
SCHEMBL17480686 0.79 HDAC3 (0.48) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL17477806 0.76 AAK1 (0.47) LNPEPERAP2KDM4EKMT2A
SCHEMBL17295758 0.76 MEN1 (0.51) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL17295748 0.76 MEN1 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL17477792 0.75 MEN1 (0.45) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
US-10011585-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US disclosed
EP-3180327-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-06-21 EP disclosed
WO-2016018701-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-02-04 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 (2 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-20170240523-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI LNPEP 1610/4885ERAP2 1507/4885ERAP1 1294/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI LNPEP 1610/4885ERAP2 1507/4885ERAP1 1294/4885

“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.