SCHEMBL5604221

SCHEMBL5604221

CON(C)C(=O)c1ccc(C)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.54
RXRA P19793 2/20 0.52
RXRB P28702 1/20 0.52
RXRG P48443 1/20 0.52
APP P05067 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
EGFR P00533 2/20 0.46
FFAR4 Q5NUL3 2/20 0.45
ATM Q13315 1/20 0.45
SRC P12931 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5604787 0.86 BRD4 (0.53) BRD4RXRAAPPNPC1HPGD
SCHEMBL30807979 0.84 APP (0.52) BRD4APPNPC1HPGDRAB9A
SCHEMBL38651980 0.84 HTT (0.59) BRD4APPNPC1HPGDRAB9A
SCHEMBL2171575 0.84 HTT (0.59) BRD4APPNPC1HPGDRAB9A
SCHEMBL69666 0.82 RXRA (0.70) RXRARXRBRXRGNPC1HPGD
SCHEMBL16929834 0.81 LMNA (0.59) BRD4RXRARXRBRXRGNPC1
SCHEMBL31241237 0.81 LMNA (0.59) BRD4RXRARXRBRXRGNPC1
SCHEMBL71773 0.80 PARP10 (0.59) BRD4RXRARXRBRXRGNPC1
SCHEMBL71526 0.80 RXRA (0.58) BRD4RXRARXRBRXRGNPC1
SCHEMBL1034311 0.80 MAOB (0.63) EGFRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499577-B1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES HOFFMANN LA ROCHE (CH) 2007-05-30 EP disclosed
US-6946471-B2 2-(2,6-Dichlorophenyl)-Diarylimidazoles HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles BRANDT MICHAEL 2004-10-28 US disclosed
US-6790852-B2 HETEROCYCLIC NITROGEN COMPOUNDS SUCH AS 2-(2,6-DICHLOROPHENYL) -4-(3-BROMOPHENYL)-5-(2-(3- HYDROXYPROPYLAMINO)PYRIMIDIN-4-YL) -N-H-IMIDAZOLE, USED AS TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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 (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-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 BRD4 1023/4885RXRA 4630/4885RXRB 4605/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 BRD4 1038/4885RXRA 4652/4885RXRB 4616/4885

“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.