SCHEMBL3889708

SCHEMBL3889708

COc1cc(O)c([N+](=O)[O-])cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
PRKDC P78527 1/20 0.45
GPR35 Q9HC97 4/20 0.44
TPMT P51580 1/20 0.44
LMNA P02545 3/20 0.43
HPGD P15428 2/20 0.43
DPP4 P27487 1/20 0.42
PREP P48147 1/20 0.42
DPP9 Q86TI2 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL2947055 0.93 ALDH1A1 (0.49) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL2087414 0.87 ALDH1A1 (0.58) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL9005383 0.85 ALDH1A1 (0.48) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL11251378 0.85 ALDH1A1 (0.55) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL6370714 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL2911207 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL31077653 0.83 ALDH1A1 (0.50) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL13557413 0.81 ALDH1A1 (0.51) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL25346612 0.81 MAPT (0.46) ALDH1A1TDP1MAPTALOX15HSD17B10
SCHEMBL19899508 0.81 TTR (0.45) ALDH1A1TDP1MAPTALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630412-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2025-10-15 EP disclosed
US-12162871-B2 Inhibitors of VAP-1 ACUCELA INC. (US) 2024-12-10 US disclosed
WO-2024121130-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2024-06-13 WO 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
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-20190194179-A1 ANTIBIOTIC COMPOUNDS DISCUVA LTD. (GB) 2019-06-27 US disclosed
US-7504513-B2 Thiazolyl-benzimidazoles HOFFMAN-LA ROCHE INC. (US) 2009-03-17 US disclosed
EP-1991543-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2008-11-19 EP disclosed
WO-2007096315-A1 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACIDS AND 4-PHENYL-THIAZOLE-5-CARBOXYLIC ACID AMIDES AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070203210-A1 Thiazolyl-benzimidazoles BOYLAN JOHN FREDERICK 2007-08-30 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 (6 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 215/4885MAPT 2213/4885
US-20070203210-A1 Thiazolyl-benzimidazoles CYP3A7, CYP2C19, CYP3A5 ALDH1A1 100/4885TDP1 2967/4885MAPT 1573/4885
US-20230295140-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885TDP1 215/4885MAPT 2213/4885
US-20190194179-A1 ANTIBIOTIC COMPOUNDS B3GNT2, RPN2, RPN1 ALDH1A1 3333/4885TDP1 3374/4885MAPT 1807/4885
US-20210387975-A1 INHIBITORS OF VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885TDP1 215/4885MAPT 2213/4885
US-12162871-B2 Inhibitors of VAP-1 VAPB, VAPA, TOE1 ALDH1A1 869/4885TDP1 215/4885MAPT 2213/4885

“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.