SCHEMBL19253868

SCHEMBL19253868

O=C(O)Nc1ccc(Cl)c(F)c1-c1ccc(C(Cc2ccccc2)c2nc3cc(F)ccc3[nH]2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.48
KLK1 P06870 2/20 0.48
LMNA P02545 2/20 0.38
F9 P00740 5/20 0.37
PRCP P42785 2/20 0.37
HTT P42858 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
SSTR1 P30872 1/20 0.35
SSTR3 P32745 1/20 0.35
SSTR5 P35346 1/20 0.35
PTPN1 P18031 1/20 0.34
HPSE Q9Y251 1/20 0.34

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
SCHEMBL17480697 0.90 F11 (0.44) F11KLK1LMNAF9PRCP
SCHEMBL17480690 0.85 F11 (0.42) F11KLK1LMNAF9PRCP
SCHEMBL17480692 0.79 F9 (0.42) F11KLK1F9
SCHEMBL17477788 0.76 F11 (0.56) F11KLK1F9
SCHEMBL17480684 0.74 LMNA (0.39) LMNAHTTCTDSP1ALDH1A1MEN1
SCHEMBL20979577 0.72 F11 (0.41) F11KLK1LMNAF9PRCP
SCHEMBL17481099 0.70 F11 (0.48) F11KLK1HTTMEN1MAPT
SCHEMBL17480702 0.69 F11 (0.40) F11KLK1F9OPRM1OPRD1
SCHEMBL17477790 0.68 F11 (0.52) F11KLK1HTTALDH1A1PTPN1
SCHEMBL17480695 0.68 F11 (0.52) F11KLK1

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-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

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 F11 1/4885KLK1 24/4885LMNA 446/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI F11 1/4885KLK1 24/4885LMNA 446/4885

“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.