SCHEMBL582977

SCHEMBL582977

N#Cc1cc(C(F)(F)F)cnc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.39
GCK P35557 1/20 0.38
GCKR Q14397 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HTT P42858 1/20 0.38
AR P10275 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
NOS3 P29474 1/20 0.36
NOS2 P35228 1/20 0.36
KHK P50053 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
Pyridine SCHEMBL16667596 0.89 CYP11B1 (0.42) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL12304375 0.81 DHFR (0.38) ALDH1A1ALOX5APFEN1KDM4EPOLB
SCHEMBL16649161 0.79 CYP11B1 (0.46) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL2634852 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL4766176 0.78 CYP11B1 (0.42) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL30055347 0.78 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL16139574 0.78 CYP11B1 (0.42) ALDH1A1MEN1KMT2ACYP11B1CYP11B2
SCHEMBL1714544 0.76 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9446803 0.76 GCK (0.38) ALDH1A1MEN1KMT2AALOX5APFEN1
SCHEMBL921763 0.75 KHK (0.43) ALDH1A1MEN1KMT2ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-04-14 US disclosed
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 (4 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 ALDH1A1 2768/4885MEN1 3096/4885KMT2A 1189/4885
US-20160102100-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, CYP4B1, NR1H4 ALDH1A1 2549/4885MEN1 1606/4885KMT2A 2282/4885
US-20070225229-A1 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators SHBG, AR, BRCA1 ALDH1A1 2768/4885MEN1 3096/4885KMT2A 1189/4885
US-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 ALDH1A1 2873/4885MEN1 3173/4885KMT2A 1288/4885

“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.