SCHEMBL4876383

SCHEMBL4876383

O=[N+]([O-])c1ccc(N2CCCC2)c2c1CCCC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
CTSB P07858 1/20 0.58
AR P10275 1/20 0.58
ALDH1A1 P00352 10/20 0.55
MAPT P10636 8/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
POLB P06746 4/20 0.55
CYP2C9 P11712 1/20 0.55
MAPK1 P28482 5/20 0.54
LMNA P02545 3/20 0.54
TNNI3 P19429 2/20 0.52
TNNT2 P45379 2/20 0.52
TNNC1 P63316 2/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A3 P47895 1/20 0.51

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
SCHEMBL4876284 0.82 ALDH1A1 (0.50) GAACTSBARALDH1A1MAPT
SCHEMBL9452622 0.82 MAPT (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL30503607 0.82 MAPT (0.47) ALDH1A1MAPTL3MBTL1CYP1A2CYP2C19
SCHEMBL4871919 0.79 GAA (0.50) GAACTSBARALDH1A1MAPT
SCHEMBL24327382 0.79 ALDH1A1 (0.42) GAACTSBARALDH1A1MAPT
SCHEMBL4878907 0.78 ALDH1A1 (0.49) GAACTSBARALDH1A1MAPT
SCHEMBL7807230 0.75 GAA (0.97) GAAALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL3603749 0.73 CTSB (1.00) GAACTSBARALDH1A1MAPT
SCHEMBL3738174 0.73 GAA (1.00) GAAALDH1A1MAPTL3MBTL1CYP1A2
Ammonia Solution, Strong SCHEMBL29015727 0.73 GAA (0.41) GAACTSBARALDH1A1MAPT

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.