SCHEMBL4876284

SCHEMBL4876284

O=[N+]([O-])c1ccc(N2CCCC2)c2c1CNCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
MAPT P10636 9/20 0.50
GAA P10253 3/20 0.50
CTSB P07858 1/20 0.50
AR P10275 1/20 0.50
MAPK1 P28482 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
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 2/20 0.48
LMNA P02545 4/20 0.47
TNNI3 P19429 2/20 0.46
TNNT2 P45379 2/20 0.46
TNNC1 P63316 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 1/20 0.45

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 0.82 GAA (0.58) ALDH1A1MAPTGAACTSBAR
SCHEMBL4871919 0.75 GAA (0.50) ALDH1A1MAPTGAACTSBAR
SCHEMBL8124036 0.75 HTR2C (0.48) ALDH1A1MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL6610894 0.75 HTR2C (0.48) ALDH1A1MAPTLMNAHTT
SCHEMBL8185629 0.72 HTR2C (0.48) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL16269165 0.72 HTR2A (0.55) MAPTMAPK1LMNAHTT
SCHEMBL4878907 0.71 ALDH1A1 (0.49) ALDH1A1MAPTGAACTSBAR
Hydrochloric Acid SCHEMBL38653706 0.71 HTR2A (0.54) MAPK1
SCHEMBL7807230 0.68 GAA (0.97) ALDH1A1MAPTGAAMAPK1SMN1; SMN2
SCHEMBL9073260 0.68 MAPT (0.97) ALDH1A1MAPTGAAMAPK1SMN1; SMN2

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 8 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
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

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 ALDH1A1 427/4885MAPT 3702/4885GAA 1936/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA ALDH1A1 404/4885MAPT 3809/4885GAA 1979/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 ALDH1A1 427/4885MAPT 3702/4885GAA 1936/4885

“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.