SCHEMBL21814723

SCHEMBL21814723

COc1cccc(CNc2nc3ccc(OC)cc3o2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
APP P05067 2/20 0.50
ACP1 P24666 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
FBP1 P09467 1/20 0.45
NPC1 O15118 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA2A P29274 1/20 0.44

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
SCHEMBL21815244 0.91 RAB9A (0.55) ACP1MEN1KMT2AALDH1A1HSD17B10
SCHEMBL24095278 0.90 MAOB (0.50) MTNR1AMTNR1BAPPACP1MEN1
SCHEMBL21814733 0.85 RAB9A (0.59) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL26264118 0.85 APP (0.44) MTNR1AMTNR1BAPPACP1MEN1
SCHEMBL21815332 0.85 PIK3CA (0.45) APPMEN1KMT2AALDH1A1RAB9A
SCHEMBL24095268 0.85 MEN1 (0.49) APPMEN1KMT2AKDM4EHTT
SCHEMBL24095174 0.84 AOC3 (0.46) MTNR1AMTNR1BAPP
SCHEMBL26264911 0.83 MEN1 (0.43) APPMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL21814986 0.81 ELANE (0.51) ACP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL21815156 0.81 MEN1 (0.46) APPMEN1KMT2ARAB9ASMN1; SMN2

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 7 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-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
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 MTNR1A 3492/4885MTNR1B 3304/4885APP 3512/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 MTNR1A 3492/4885MTNR1B 3304/4885APP 3512/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 MTNR1A 3492/4885MTNR1B 3304/4885APP 3512/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 MTNR1A 3492/4885MTNR1B 3304/4885APP 3512/4885

“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.