SCHEMBL4982071

SCHEMBL4982071

NC(C(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
BAZ1A Q9NRL2 1/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
MAPT P10636 4/20 0.51
S1PR3 Q99500 2/20 0.51
LMNA P02545 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
HTR1E P28566 1/20 0.51
GLS O94925 4/20 0.51
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
ATM Q13315 2/20 0.50
TP53 P04637 1/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 1/20 0.50
EPHX2 P34913 1/20 0.50

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
SCHEMBL19074543 1.00 POLB (0.66) POLBROCK2ROCK1BAZ1AMEN1
Hydrochloric Acid SCHEMBL8010089 0.98 POLB (0.63) POLBROCK2ROCK1BAZ1AMEN1
Hydrochloric Acid SCHEMBL8010083 0.98 POLB (0.63) POLBROCK2ROCK1BAZ1AMEN1
Dimethylamine SCHEMBL6726772 0.94 POLB (0.59) POLBROCK2ROCK1BAZ1AMEN1
SCHEMBL23611208 0.91 ROCK2 (0.56) POLBROCK2ROCK1BAZ1AMEN1
SCHEMBL23611205 0.91 ROCK2 (0.56) POLBROCK2ROCK1BAZ1AMEN1
SCHEMBL16943502 0.88 POLB (0.51) POLBROCK2ROCK1BAZ1AMEN1
SCHEMBL20491035 0.88 POLB (0.51) POLBROCK2ROCK1BAZ1AMEN1
SCHEMBL7680844 0.88 POLB (0.51) POLBROCK2ROCK1BAZ1AMEN1
SCHEMBL23611109 0.88 KMT2A (0.56) POLBROCK2ROCK1BAZ1AMEN1

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
EP-2685982-B1 PYRROLOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL MYERS SQUIBB CO (US) 2017-07-05 EP disclosed
US-7368573-B2 Triamide-substituted heterobicyclic compounds PFIZER INC. (US) 2008-05-06 US disclosed
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS BERTINATO PETER 2006-10-05 US disclosed
US-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors NPS ALLELIX CORPORATION (CA) 2004-08-05 US disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022534-A1 ARYLGLYCINE DERIVATIVES FOR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
WO-2004022528-A2 ARYLGLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS NPS ALLELIX CORP. (CA) 2004-03-18 WO disclosed
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP disclosed
US-5776983-A ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-07 US disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP 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-20040152740-A1 Arylglycine derivatives for use as glycine transport inhibitors SLC1A2, SLC6A7, SLC1A1 POLB 4182/4885ROCK2 4063/4885ROCK1 3294/4885
US-20040152741-A1 Arylglycine derivatives and their use as glycine transport inhibitors SLC1A2, SLC1A1, SLC7A11 POLB 4412/4885ROCK2 4242/4885ROCK1 3247/4885
US-20060223851-A1 TRIAMIDE-SUBSTITUTED HETEROBICYCLIC COMPOUNDS APOB, MTPN, CTRB1 POLB 922/4885ROCK2 4583/4885ROCK1 4460/4885

“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.