SCHEMBL582813

SCHEMBL582813

CC[C@H](C(=O)NCc1cc(Br)ccc1F)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
POLB P06746 3/20 0.40
LMNA P02545 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
KDM4A O75164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SLC1A2 P43004 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNQ2 O43526 2/20 0.38
P2RX7 Q99572 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDR1 Q08345 1/20 0.37

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
SCHEMBL583547 1.00 MEN1 (0.43) MEN1KMT2AGAAPOLBLMNA
SCHEMBL10099966 1.00 MEN1 (0.43) MEN1KMT2AGAAPOLBLMNA
SCHEMBL582940 0.92 MEN1 (0.53) MEN1KMT2AGAAPOLBLMNA
SCHEMBL582939 0.92 MEN1 (0.53) MEN1KMT2AGAAPOLBLMNA
SCHEMBL583334 0.89 KMT2A (0.47) MEN1KMT2AGAAPOLBLMNA
SCHEMBL10099976 0.89 KMT2A (0.47) MEN1KMT2AGAAPOLBLMNA
SCHEMBL582484 0.89 KMT2A (0.47) MEN1KMT2AGAAPOLBLMNA
SCHEMBL583384 0.89 MEN1 (0.43) MEN1KMT2AGAAPOLBLMNA
SCHEMBL583513 0.89 MEN1 (0.43) MEN1KMT2AGAAPOLBLMNA
SCHEMBL13255823 0.89 MEN1 (0.43) MEN1KMT2AGAAPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP claimed
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 US claimed
JP-2008501800-A 2008-01-24 JP claimed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 US claimed
CN-1976902-A N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO INC (US) 2007-06-06 CN claimed
EP-1755572-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-02-28 EP claimed
WO-2005120477-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-12-22 WO claimed
EP-1755572-B1 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK SHARP & DOHME (US) 2012-02-15 EP disclosed
US-7763659-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-27 US disclosed
US-7629367-B2 Tissue-selective androgen receptor modulators (SARMs); male hypogonadism, prostate cancer, benign prostate hyperplasia, sarcopenia, rheumatoid arthritis and osteoarthritis; N-((5-cyclopropyl-2-fluoropyridin-3-yl)methyl)-2-phenylbutanamide for example MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-06-12 US disclosed
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-09-27 US disclosed
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US disclosed
CN-1976902-A N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO INC (US) 2007-06-06 CN disclosed
EP-1755572-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005120477-A2 N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-12-22 WO disclosed
US-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-12-15 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-20050277681-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 MEN1 3096/4885KMT2A 1189/4885GAA 2879/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 MEN1 3096/4885KMT2A 1189/4885GAA 2879/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 MEN1 3173/4885KMT2A 1288/4885GAA 2839/4885

“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.