SCHEMBL8022818

SCHEMBL8022818

COc1ccc(N)c(O)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
CYP3A4 P08684 5/20 0.47
IDO1 P14902 1/20 0.45
EP300 Q09472 1/20 0.44
KAT8 Q9H7Z6 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 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
SCHEMBL6470473 0.83 ALDH1A1 (0.47) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL9123318 0.81 MAPT (0.52) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL2123973 0.79 ALDH1A1 (0.52) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL2656026 0.77 ALDH1A1 (0.50) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL7861678 0.77 HIF1A (0.55) ALDH1A1CYP3A4HSD17B10TSHRLMNA
SCHEMBL9275892 0.77 ALDH1A1 (0.43) ALDH1A1CYP3A4TDP1HSD17B10TSHR
SCHEMBL28056190 0.77 IDO1 (0.44) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL2549340 0.77 IDO1 (0.44) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL1801222 0.76 CYP3A4 (0.48) ALDH1A1CYP3A4IDO1EP300KAT8
SCHEMBL25009959 0.76 ALDH1A1 (0.48) ALDH1A1CYP3A4IDO1EP300KAT8

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 14 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-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-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
EP-3029024-A1 2-(2-aminophenoxy)-3-chloronaphthalene-1,4-dione compounds having orexin 2 receptor agonist activity Ferrer Internacional, S.A. (ES) 2016-06-08 EP disclosed
WO-2000066613-A1 BONE TARGETING AGENTS FOR OSTEOPOROSIS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-11-09 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 ALDH1A1 869/4885CYP3A4 4363/4885IDO1 4231/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885CYP3A4 4363/4885IDO1 4231/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885CYP3A4 4363/4885IDO1 4231/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885CYP3A4 4363/4885IDO1 4231/4885

“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.