SCHEMBL4871919

SCHEMBL4871919

O=[N+]([O-])c1ccc(N2CCCC2)c2c1CCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
CTSB P07858 1/20 0.50
AR P10275 1/20 0.50
MAPT P10636 9/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 11/20 0.48
POLB P06746 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2C9 P11712 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TNNI3 P19429 2/20 0.47
TNNT2 P45379 2/20 0.47
TNNC1 P63316 2/20 0.47
MAPK1 P28482 6/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4876383 0.79 GAA (0.58) GAACTSBARMAPTHTT
SCHEMBL31731530 0.77 MAPT (0.44) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4876284 0.75 ALDH1A1 (0.50) GAACTSBARMAPTHTT
SCHEMBL3926578 0.70 TSHR (0.42) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL7807230 0.68 GAA (0.97) GAAMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL20898871 0.68 HTR2A (0.54) MAPTALDH1A1POLBCYP1A2CYP2C19
SCHEMBL30503607 0.67 MAPT (0.47) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL9452622 0.67 MAPT (0.47) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL3603749 0.67 CTSB (1.00) GAACTSBARMAPTHTT
SCHEMBL7809573 0.67 ALDH1A1 (0.67) GAACTSBARMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP claimed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US claimed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 WO claimed
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 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 (3 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 GAA 1936/4885CTSB 2931/4885AR 2/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA GAA 1979/4885CTSB 2995/4885AR 2/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 GAA 1936/4885CTSB 2931/4885AR 2/4885

“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.