SCHEMBL4677633

SCHEMBL4677633

NC(c1ccc(Cl)cc1)C(N)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL16781693 0.90 ALDH1A1 (0.56) CYP1A2ALDH1A1L3MBTL1IDO1MAPT
SCHEMBL4694927 0.90 ALDH1A1 (0.56) CYP1A2ALDH1A1L3MBTL1IDO1MAPT
Hydrochloric Acid SCHEMBL14119652 0.88 ALDH1A1 (0.54) CYP1A2ALDH1A1L3MBTL1IDO1MAPT
Hydrochloric Acid SCHEMBL19951705 0.88 ALDH1A1 (0.54) CYP1A2ALDH1A1L3MBTL1IDO1MAPT
Hydrochloric Acid SCHEMBL30098251 0.88 ALDH1A1 (0.54) CYP1A2ALDH1A1L3MBTL1IDO1MAPT
SCHEMBL29242 0.83 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19ALDH1A1MAOB
SCHEMBL28180410 0.83 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19ALDH1A1MAOB
SCHEMBL2724772 0.83 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19ALDH1A1MAOB
SCHEMBL11320631 0.83 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19ALDH1A1MAOB
SCHEMBL28904973 0.82 ALDH1A1 (0.58) CYP1A2CYP2C19ALDH1A1L3MBTL1MAPT

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
CN-100486969-C Cis-2, 4, 5-triphenyl-imidazoline and application thereof in tumor treatment HOFFMANN LA ROCHE (CH) 2009-05-13 CN disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
EP-1458380-B1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20040204410-A1 CIS-imidazolines KONG NORMAN (US) 2004-10-14 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
EP-1458380-A1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
US-6734302-B2 SUCH AS 1-(4,5-BIS-(4-CHLORO-PHENYL)-2-(2,4-DIMETHOXY-PHENYL)-4,5-DIHYDRO-IMIDAZOL-1-YL)-2-METHYL-PROPAN-1-ONE WHICH INHIBITS THE INTERACTION OF MDM2 PROTEIN WITH P53-LIKE PEPTIDE; ANTIPROLIFERATIVE AGENTS HOFFMANN-LA ROCHE INC. 2004-05-11 US disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
US-20030153580-A1 Such as 1-(4,5-Bis-(4-chloro-phenyl)-2-(2,4-dimethoxy-phenyl)-4,5-dihydro-imidazol-1-yl)-2-methyl-propan-1-one which inhibits the interaction of MDM2 protein with p53-like peptide; antiproliferative agents KONG NORMAN (US) 2003-08-14 US disclosed
WO-2003051359-A1 CIS-2,4,5- TRIPHENYL-IMIDAZOLINES AND THEIR USE IN THE TREATMENT OF TUMORS F.HOFFMANN-LA ROCHE AG (CH) 2003-06-26 WO disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 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 (2 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-20030153580-A1 Such as 1-(4,5-Bis-(4-chloro-phenyl)-2-(2,4-dimethoxy-phenyl)-4,5-dihydro-imidazol-1-yl)-2-methyl-propan-1-one which inhibits the interaction of MDM2 protein with p53-like peptide; antiproliferative agents TP53, MDM2, TP53BP1 CYP1A2 4300/4885CYP2C9 4417/4885CYP2C19 4168/4885
US-20040204410-A1 CIS-imidazolines TP53, MDM2, TP53BP1 CYP1A2 3316/4885CYP2C9 2456/4885CYP2C19 2247/4885

“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.