SCHEMBL19874072

SCHEMBL19874072

O=C(O)c1ccc(NC(=O)C(CC2CCC2)c2ccc(Br)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 16/20 0.53
▸ KLK1 P06870 3/20 0.53
▸ FPR2 P25090 2/20 0.43
▸ KLKB1 P03952 9/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL17295685 0.96 F11 (0.56) F11KLK1FPR2KLKB1
SCHEMBL19874085 0.89 F11 (0.45) F11KLK1FPR2KLKB1NPC1
SCHEMBL30517942 0.85 F11 (0.41) F11KLK1FPR2KLKB1NPC1
SCHEMBL17295757 0.84 F11 (0.46) F11KLK1FPR2KLKB1NPC1
SCHEMBL19874161 0.84 F11 (0.46) F11KLK1KLKB1NPC1RAB9A
SCHEMBL19874158 0.84 F11 (0.46) F11KLK1KLKB1NPC1RAB9A
SCHEMBL19874311 0.84 F11 (0.45) F11KLK1FPR2KLKB1NPC1
SCHEMBL17295708 0.82 RAB9A (0.51) F11KLK1NPC1RAB9AKMT2A
SCHEMBL19886605 0.81 F11 (0.44) F11KLK1FPR2KLKB1NPC1
SCHEMBL19886595 0.80 ALDH1A1 (0.43) FPR2NPC1RAB9AKMT2AALDH1A1

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-3500556-B1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 — — EP disclosed
EP-3500556-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-06-26 — — EP disclosed
US-10143681-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-04 — — US disclosed
WO-2018039094-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 — — WO disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 — — 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-10143681-B2 Factor XIa inhibitors F11, F2, TFPI F11 1/4885KLK1 25/4885FPR2 1271/4885
US-20180050022-A1 FACTOR XIa INHIBITORS F11, F2, TFPI F11 1/4885KLK1 25/4885FPR2 1271/4885

“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.

Send feedback