SCHEMBL17480686

SCHEMBL17480686

Nc1cc(F)ccc1NC(=O)C(Cc1ccccc1)c1ccc(Br)cn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 16/20 0.48
HDAC1 Q13547 15/20 0.48
HDAC2 Q92769 14/20 0.48
NCOR2 Q9Y618 12/20 0.48
NCOR1 O75376 2/20 0.47
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
F11 P03951 2/20 0.42
KLK1 P06870 2/20 0.42

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
SCHEMBL17477796 0.92 HDAC1 (0.45) HDAC3HDAC1HDAC2NCOR2NCOR1
SCHEMBL19278111 0.85 LNPEP (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17477813 0.82 LNPEP (0.53) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17480676 0.82 LNPEP (0.47) HDAC3HDAC1HDAC2NCOR2HDAC10
SCHEMBL17477804 0.79 LNPEP (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17477801 0.76 LNPEP (0.47) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17480695 0.76 F11 (0.52) HDAC3HDAC1HDAC2NCOR2NCOR1
SCHEMBL17295758 0.75 MEN1 (0.51) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL17477788 0.74 F11 (0.56) HDAC3HDAC1HDAC2NCOR2NCOR1
SCHEMBL2762000 0.74 EPHX1 (0.54)

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 3 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-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 US 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 (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-20170240523-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI HDAC3 701/4885HDAC1 673/4885HDAC2 545/4885

“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.