SCHEMBL4878641

SCHEMBL4878641

O=[N+]([O-])c1ccc(N2CCCC2)c2ncccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
TNNI3 P19429 1/20 1.00
TNNT2 P45379 1/20 1.00
TNNC1 P63316 1/20 1.00
ALDH1A1 P00352 4/20 0.97
KDM4E B2RXH2 3/20 0.97
MAPK1 P28482 2/20 0.97
TDP1 Q9NUW8 2/20 0.97
L3MBTL1 Q9Y468 1/20 0.97
CTSB P07858 5/20 0.75
AR P10275 1/20 0.65
LMNA P02545 3/20 0.65
KMT2A Q03164 2/20 0.65
PSMD14 O00487 1/20 0.65
APAF1 O14727 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
HTT P42858 3/20 0.64
MITF O75030 1/20 0.64
NPC1 O15118 1/20 0.61

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
SCHEMBL28512817 0.88 MAPT (1.00) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL3627022 0.88 MAPT (0.79) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL6267493 0.87 MAPT (0.77) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL2628834 0.84 MAPT (0.72) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL28524484 0.79 MAPT (0.65) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL29741481 0.79 MAPT (0.65) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL3603749 0.79 CTSB (1.00) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL3598358 0.78 CTSB (0.97) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL6263506 0.78 MAPT (1.00) MAPTSMN1; SMN2TNNI3TNNT2TNNC1
SCHEMBL5449804 0.77 ALDH1A1 (0.67) MAPTSMN1; SMN2TNNI3TNNT2TNNC1

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 3702/4885SMN1; SMN2 3219/4885TNNI3 3521/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA MAPT 3809/4885SMN1; SMN2 3162/4885TNNI3 3434/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 MAPT 3702/4885SMN1; SMN2 3219/4885TNNI3 3521/4885

“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.