SCHEMBL4880595

SCHEMBL4880595

O=[N+]([O-])c1ccc(N2CCCC2)c2ccncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
HTT P42858 3/20 1.00
POLB P06746 4/20 0.78
CTSB P07858 2/20 0.67
AR P10275 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.58
TNNI3 P19429 2/20 0.58
TNNT2 P45379 2/20 0.58
TNNC1 P63316 2/20 0.58
ALDH1A1 P00352 8/20 0.56
MAPK1 P28482 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MITF O75030 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL9425659 0.80 MAPT (0.67) MAPTHTTPOLBCTSBAR
SCHEMBL3603749 0.80 CTSB (1.00) MAPTHTTPOLBCTSBAR
SCHEMBL11817125 0.79 MAPT (0.64) MAPTHTTPOLBCTSBSMN1; SMN2
SCHEMBL3598358 0.79 CTSB (0.97) MAPTHTTPOLBCTSBAR
SCHEMBL27775374 0.79 MAPT (0.65) MAPTHTTPOLBSMN1; SMN2TNNI3
SCHEMBL1710516 0.79 MAPT (0.65) MAPTHTTPOLBCTSBAR
SCHEMBL4878641 0.73 MAPT (1.00) MAPTHTTCTSBARSMN1; SMN2
SCHEMBL246756 0.72 MAPT (0.58) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL31162406 0.72 MAPT (0.58) MAPTHTTPOLBSMN1; SMN2ALDH1A1
SCHEMBL6973083 0.72 MAPT (0.56) MAPTHTTPOLBSMN1; SMN2ALDH1A1

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 MAPT 3702/4885HTT 4742/4885POLB 1520/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA MAPT 3809/4885HTT 4724/4885POLB 1520/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 MAPT 3702/4885HTT 4742/4885POLB 1520/4885

“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.