SCHEMBL30258533

SCHEMBL30258533

COc1cc[n+]([O-])cc1-c1c(-n2cc(C(F)(F)F)nn2)ccc(Cl)c1F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 12/20 0.44
▸ NOTUM Q6P988 4/20 0.35
▸ KLKB1 P03952 7/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CCR9 P51686 1/20 0.34
▸ KLK1 P06870 1/20 0.34
▸ F2 P00734 2/20 0.34
▸ F10 P00742 1/20 0.34
▸ CYP1A1 P04798 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ PRSS3 P35030 1/20 0.34
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL30590414 0.79 F11 (0.39) F11NOTUMKLKB1CYP3A4KLK1
SCHEMBL30258811 0.79 F11 (0.47) F11NOTUMKLKB1KLK1F2
SCHEMBL29839755 0.78 F11 (0.40) F11NOTUMKLKB1CYP3A4KLK1
SCHEMBL27003504 0.78 F11 (0.40) F11NOTUMKLKB1CYP3A4KLK1
SCHEMBL31174071 0.77 F11 (0.40) F11NOTUMKLKB1CYP3A4KLK1
SCHEMBL29839754 0.76 F11 (0.40) F11NOTUMKLKB1CYP3A4KLK1
SCHEMBL29839752 0.76 F11 (0.40) F11NOTUMKLKB1CYP3A4KLK1
SCHEMBL27003502 0.76 F11 (0.40) F11NOTUMKLKB1CYP3A4KLK1
Trifluoroacetic Acid SCHEMBL30258867 0.76 F11 (0.43) F11NOTUMKLKB1KLK1F2
SCHEMBL31174112 0.72 F11 (0.41) F11NOTUMKLK1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-11-14 — — US disclosed
US-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS JANSSEN RESEARCH & DEVELOPMENT, LLC 2023-03-23 — — 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-20230091768-A1 PYRIDINE N-OXIDE DERIVATIVES USEFUL AS FACTOR XIA INHIBITORS F11, F2, KLKB1 F11 1/4885NOTUM 2057/4885KLKB1 3/4885
US-11814364-B2 Pyridine N-oxide derivatives useful as factor XIa inhibitors F11, F2, KLKB1 F11 1/4885NOTUM 2057/4885KLKB1 3/4885

“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.

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