SCHEMBL5322745

SCHEMBL5322745

COc1ccc([N+](=O)[O-])c(O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 4/20 0.50
GPR35 Q9HC97 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 5/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
G6PD P11413 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL8349793 0.86 ALDH1A1 (0.50) ALDH1A1TDP1GPR35L3MBTL1LMNA
SCHEMBL68284 0.85 TDP1 (0.53) ALDH1A1TDP1GPR35L3MBTL1LMNA
SCHEMBL4466194 0.83 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1LMNAKDM4E
SCHEMBL31077739 0.83 ALDH1A1 (0.55) ALDH1A1TDP1L3MBTL1LMNAKDM4E
SCHEMBL7696511 0.82 TDP1 (0.50) ALDH1A1TDP1GPR35L3MBTL1LMNA
SCHEMBL6816142 0.81 G6PD (0.51) ALDH1A1TDP1GPR35L3MBTL1LMNA
SCHEMBL2545076 0.81 ALDH1A1 (0.49) ALDH1A1TDP1GPR35L3MBTL1LMNA
SCHEMBL19435537 0.81 TDP1 (0.49) ALDH1A1TDP1GPR35L3MBTL1LMNA
SCHEMBL6973058 0.80 ALDH1A1 (0.52) ALDH1A1TDP1L3MBTL1LMNAKDM4E
SCHEMBL15018462 0.80 ALDH1A1 (0.52) ALDH1A1TDP1L3MBTL1LMNAKDM4E

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 13 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
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
WO-2007134328-A2 GELDANAMYCINS AND THEIR QUINONE MOIETIES INHIBIT CANCER BY ACTING ON MITOCHONDRIAL VOLTAGE-DEPENDENT ANION CHANNEL (VDAC) PROTEIN VAN ANDEL RESEARCH INSTITUTE (US) 2007-11-22 WO disclosed
EP-0867432-B1 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists AVENTIS PHARMA GMBH (DE) 2004-06-09 EP disclosed
US-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed
EP-0867432-A2 Fused N-heterocyclic compounds substituted with benzyloxy, process for their preparation and their use as bradykinin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-30 EP 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 869/4885TDP1 215/4885GPR35 4690/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885TDP1 215/4885GPR35 4690/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885TDP1 215/4885GPR35 4690/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885TDP1 215/4885GPR35 4690/4885

“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.