SCHEMBL4875681

SCHEMBL4875681

NS(=O)(=O)c1ccc(N2CCCC2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.55
LDHA P00338 1/20 0.51
AR P10275 2/20 0.50
CTSB P07858 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SLC6A4 P31645 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CDK2 P24941 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL19284651 0.86 HTR6 (0.70) HTR6LDHAALDH1A1KDM4ELMNA
SCHEMBL30735626 0.86 HTR6 (0.70) HTR6LDHAALDH1A1KDM4ELMNA
SCHEMBL4878854 0.83 HTR6 (0.55) HTR6ARCTSBALDH1A1HPGD
SCHEMBL4877895 0.83 HTR6 (0.55) HTR6ARCTSBALDH1A1MAPT
SCHEMBL4059759 0.79 CA2 (0.50) HTR6ALDH1A1MAPTCA1CA2
Hydrochloric Acid SCHEMBL11538427 0.76 KEAP1 (0.52) HTR6ALDH1A1MAPTCA1CA2
SCHEMBL31527700 0.76 KEAP1 (0.52) HTR6ALDH1A1MAPTCA1CA2
SCHEMBL25228611 0.75 LMNA (0.46) ALDH1A1MAPTCA1CA2CA9
SCHEMBL6549576 0.73 HTR6 (0.90) HTR6
SCHEMBL21830393 0.73 AR (0.57) HTR6ARCTSBALDH1A1MAPT

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
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US 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 HTR6 1581/4885LDHA 2421/4885AR 2/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA HTR6 1724/4885LDHA 2281/4885AR 2/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 HTR6 1581/4885LDHA 2421/4885AR 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.