SCHEMBL21814899

SCHEMBL21814899

NC/C(=C/F)COc1ccc2nc(NCc3ccc(C(F)(F)F)nc3)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.43
AOC2 O75106 3/20 0.38
MAOB P27338 2/20 0.38
DAO P14920 1/20 0.38
MAOA P21397 1/20 0.38
AURKB Q96GD4 1/20 0.37

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
SCHEMBL21815135 1.00 AOC3 (0.43) AOC3AOC2MAOBDAOMAOA
SCHEMBL21814904 1.00 AOC3 (0.43) AOC3AOC2MAOBDAOMAOA
SCHEMBL28596450 0.91 AOC3 (0.39) AOC3AOC2MAOB
SCHEMBL30583503 0.91 AOC3 (0.39) AOC3AOC2MAOB
SCHEMBL30583377 0.91 AOC3 (0.39) AOC3AOC2MAOB
SCHEMBL28590634 0.91 AOC3 (0.39) AOC3AOC2MAOB
SCHEMBL28590635 0.91 AOC3 (0.39) AOC3AOC2MAOB
SCHEMBL24094934 0.88 AOC3 (0.43) AOC3AOC2MAOBDAOMAOA
SCHEMBL24095012 0.87 AOC3 (0.45) AOC3
SCHEMBL25400827 0.87 AOC3 (0.45) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-11787791-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2023-10-17 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20230295140-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2023-09-21 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
US-20210387975-A1 INHIBITORS OF VAP-1 ACUCELA INC. 2021-12-16 US disclosed
EP-3856176-A2 INHIBITORS OF VAP-1 Acucela Inc. (US) 2021-08-04 EP disclosed
CN-113164454-A Inhibitors of VAP-1 奥克塞拉有限公司 2021-07-23 CN disclosed
WO-2020069330-A2 INHIBITORS OF VAP-1 ACUCELA INC. (US) 2020-04-02 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 (4 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-11787791-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOB 1440/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOB 1440/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOB 1440/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 AOC3 290/4885AOC2 139/4885MAOB 1440/4885

“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.