SCHEMBL5228055

SCHEMBL5228055

O=c1ccc2cc3c(cc2[nH]1)NCCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.49
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
CA1 P00915 2/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
F11 P03951 1/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.36
MAOB P27338 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL608013 0.95 AR (0.53) ARCA12CA9CA1CA3
SCHEMBL13849655 0.82 CA12 (0.48) ARCA12CA9CA1CA3
SCHEMBL13849659 0.80 CA12 (0.47) ARCA12CA9CA1CA3
SCHEMBL13849654 0.79 GRIN2D (0.53) ARCA12CA9CA1CA3
SCHEMBL718661 0.72 CA12 (0.46) ARCA12CA9CA1CA3
SCHEMBL5227879 0.71 AR (0.92) AR
SCHEMBL9703662 0.70 AR (0.52) ARCA12CA9CA1MAPK1
SCHEMBL17951770 0.68 MAPK1 (0.68) ARCA12CA9CA1CA3
SCHEMBL11552058 0.67 ATM (0.58) ARCA12CA9CA1MAPK1
SCHEMBL1437934 0.66 ALDH1A1 (0.49) ARCA12CA9CA1KDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP claimed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US claimed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP claimed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US claimed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP claimed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 WO claimed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1439841-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-09-19 EP disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
US-7196076-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2007-03-27 US disclosed
EP-1439841-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2005-11-09 EP disclosed
US-20040198717-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2004-10-07 US disclosed
EP-1439841-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-07-28 EP disclosed
WO-2003034987-A2 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-05-01 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 (1 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-20040198717-A1 Androgen receptor modulators and methods of use thereof AR, SHBG, FSHR AR 1/4885CA12 4748/4885CA9 4187/4885

“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.