SCHEMBL5521185

SCHEMBL5521185

O=C(NCc1cc(C(F)(F)F)ccc1F)C(O)(c1ccccc1)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.42
USP30 Q70CQ3 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.40
RIPK1 Q13546 1/20 0.40
DDR1 Q08345 1/20 0.39
CETP P11597 1/20 0.39
MAPK14 Q16539 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL582894 1.00 KMT2A (0.44) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL582690 1.00 KMT2A (0.44) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL582744 0.94 CETP (0.44) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL582743 0.94 CETP (0.44) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL5517353 0.93 KMT2A (0.46) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL582826 0.93 KMT2A (0.46) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL5513992 0.93 KMT2A (0.46) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL582742 0.84 POLB (0.44) KMT2ALMNAL3MBTL1NPSR1POLB
SCHEMBL582587 0.83 POLQ (0.36) KMT2APOLBRIPK1
SCHEMBL5522553 0.83 POLQ (0.36) KMT2APOLBRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268153-B2 N-(2-benzyl)-2-phenylbutanamides as androgen receptor modulators MERCK & CO., INC. (US) 2007-09-11 US claimed
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

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-20080139630-A1 N-(2-Benzyl)-2-Phenylbutanamides As Androgen Receptor Modulators SHBG, AR, NR5A1 KMT2A 1288/4885LMNA 1497/4885L3MBTL1 1859/4885

“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.