SCHEMBL18152952

SCHEMBL18152952

O=C(O)Nc1ccc(C(=O)CBr)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 2/20 0.44
FEN1 P39748 2/20 0.44
EPHX1 P07099 1/20 0.43
EPHX2 P34913 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
RAB9A P51151 2/20 0.41
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40

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
SCHEMBL5726045 0.86 RORC (0.52) MEN1KMT2AMAPTSMN1; SMN2CYP3A4
SCHEMBL16753776 0.83 SMN1; SMN2 (0.44) MEN1KMT2ALMNANPC1MAPT
SCHEMBL18152957 0.82 POLB (0.46) MEN1KMT2ALMNANPC1MAPT
SCHEMBL18152944 0.81 NPC1 (0.44) MEN1KMT2ALMNANPC1MAPT
SCHEMBL18152989 0.78 NPC1 (0.50) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL10583020 0.77 CNR1 (0.44) EPHX1EPHX2MEN1KMT2ALMNA
SCHEMBL16536096 0.77 GAA (0.46) EPHX2GAAMAPK1HPGD
SCHEMBL22217127 0.77 MAPT (0.45) EPHX1MEN1KMT2ALMNANPC1
SCHEMBL10577425 0.77 EPHX1 (0.46) EPHX1EPHX2MEN1KMT2ALMNA
SCHEMBL846655 0.76 HPGD (0.50) ERCC5FEN1MEN1KMT2ALMNA

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
EP-3180317-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
US-9868727-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-20170210732-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-27 US disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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 (3 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI ERCC5 1212/4885FEN1 2090/4885EPHX1 308/4885
US-20170210732-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI ERCC5 1199/4885FEN1 2074/4885EPHX1 283/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI ERCC5 1212/4885FEN1 2090/4885EPHX1 308/4885

“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.