SCHEMBL6298943

SCHEMBL6298943

CC(COc1ccc([N+](=O)[O-])cc1)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
ALDH1A1 P00352 5/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KCNJ1 P48048 1/20 0.47
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL4352529 0.88 LTA4H (0.52) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL4352532 0.88 LTA4H (0.52) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8080901 0.82 MAPT (0.53) CTDSP1L3MBTL1MAPTALDH1A1HTT
SCHEMBL25299662 0.79 TSHR (0.57) L3MBTL1MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL24352743 0.79 FKBP1A (0.57) L3MBTL1MAPTALDH1A1LMNAMEN1
SCHEMBL6298938 0.77 CYP1A2 (0.59) L3MBTL1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3045885 0.75 MAPT (0.68) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL10643494 0.75 GAA (0.58) L3MBTL1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2085614 0.75 MAPT (0.62) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL10511967 0.74 ALDH1A1 (0.48) MAPTALDH1A1HTTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933390-B2 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate WARNER-LAMBERT COMPANY (US) 2005-08-23 US disclosed
US-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate BARTH HUBERT (DE) 2004-12-09 US disclosed
US-6774242-B1 REACTING WITH INDOLE IN APROTIC SOLVENT GOEDECKE GMBH (DE) 2004-08-10 US disclosed
EP-1165512-A2 METHOD FOR ARYLATING AZA-HETEROCYCLES WITH ACTIVATED AROMATIC COMPOUNDS IN THE PRESENCE OF CESIUM CARBONATE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000059883-A2 METHOD FOR PRODUCING N-ARYL-AZA-HETEROCYCLES IN THE PRESENCE OF CESIUM CARBONATE Gödecke GmbH (DE) 2000-10-12 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 (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-20040249185-A1 Process for the arylation of aza-heterocycles with activated aromatics in presence of caesium carbonate AZI2, KCNH1, CA7 CTDSP1 1093/4885L3MBTL1 4876/4885MAPT 4342/4885

“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.