SCHEMBL6181269

SCHEMBL6181269

COc1cc(C2=CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
CHEK1 O14757 8/20 0.45
SIRT6 Q8N6T7 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ACMSD Q8TDX5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TRIM24 O15164 1/20 0.38

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
SCHEMBL30868397 0.96 ALDH1A1 (0.51) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL6177383 0.90 PDGFRB (0.46) ALDH1A1LMNATDP1ACMSDPDGFRB
SCHEMBL309803 0.81 CHEK1 (0.46) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL2208088 0.80 ADRA2A (0.46) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL522135 0.80 QDPR (0.62) ALDH1A1LMNACHEK1SIRT6
SCHEMBL13736939 0.80 TDP1 (0.47) ALDH1A1LMNASIRT6TDP1ACMSD
SCHEMBL11224598 0.80 CHEK1 (0.61) ALDH1A1LMNACHEK1SIRT6TDP1
SCHEMBL25447049 0.80 MAPT (0.49) ALDH1A1ACMSDMAPTNPC1RAB9A
SCHEMBL15993325 0.79 QDPR (0.63) ALDH1A1LMNACHEK1SIRT6MAPT
SCHEMBL2201835 0.79 SIRT6 (0.53) ALDH1A1LMNACHEK1SIRT6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456202-B1 BENZOTHIAZOLES HOFFMANN LA ROCHE (CH) 2005-11-09 EP disclosed
US-6734179-B2 SULFUR COMPOUNDS SUCH AS 4-FLUORO-N-(4-METHOXY-7-(TETRAHYDRO-PYRAN-4-YL)-BENZOTHIAZOL-2-YL) -BENZAMIDE, USED AS PREFERENTIAL ADENOSINE RECEPTOR LIGANDS FOR THE PROPHYLAXIS OF NEURODEGENERATIVE DISORDERS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-20030144288-A1 Benzothiazoles F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2003-07-31 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 (1 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-20030144288-A1 Benzothiazoles ADORA2A, ADORA1, ADORA2B ALDH1A1 89/4885LMNA 3584/4885CHEK1 3833/4885

“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.