SCHEMBL4315975

SCHEMBL4315975

COc1cc(CNC(=O)O)c(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PABPC1 P11940 2/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
NNMT P40261 1/20 0.41
P2RX7 Q99572 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPK8 P45983 1/20 0.37
USP2 O75604 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL13881875 0.82 STK17B (0.46) RECQLMAPTMTNR1AMTNR1BPOLB
SCHEMBL21327224 0.82 NNMT (0.50) RECQLMAPTMEN1KMT2APABPC1
SCHEMBL24853339 0.79 RECQL (0.45) RECQLMAPTMEN1KMT2APABPC1
SCHEMBL30184866 0.79 RECQL (0.45) RECQLMAPTMEN1KMT2APABPC1
SCHEMBL13361818 0.77 RECQL (0.39) RECQLMAPTMEN1KMT2APABPC1
SCHEMBL21327577 0.77 KMT2A (0.40) RECQLMAPTMEN1KMT2APABPC1
SCHEMBL4307667 0.77 POLB (0.41) RECQLMAPTMEN1KMT2APOLB
SCHEMBL13892471 0.73 LOXL2 (0.44) RECQLMTNR1AMTNR1BNNMTSMN1; SMN2
SCHEMBL21591699 0.71 MTNR1B (0.51) RECQLMEN1KMT2APABPC1MTNR1A
SCHEMBL27732222 0.71 GAA (0.38) RECQLMAPTMEN1KMT2AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
EP-1912945-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-04-23 EP disclosed
WO-2007016358-A1 N-(PYRIDIN-4-YL)-2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-02-08 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 (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-20090088458-A1 N-(Pyridin-4-Yl)-2-Phenylbutanamides as Androgen Receptor Modulators SHBG, AR, NR5A1 RECQL 2581/4885MAPT 1721/4885MEN1 2701/4885

“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.