SCHEMBL5604639

SCHEMBL5604639

CN(C)CCCSCCN

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HRH4 Q9H3N8 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP1A2 P05177 2/20 0.45
HRH2 P25021 1/20 0.45
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.39
PRMT6 Q96LA8 1/20 0.36
DNM1 Q05193 3/20 0.35
CHRM2 P08172 1/20 0.33
CYP2D6 P10635 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
THPO P40225 1/20 0.30

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
SCHEMBL5604843 0.90 TDP1 (0.48) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL11348671 0.87 ALDH1A1 (0.53) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL5605130 0.84
SCHEMBL11938145 0.84 ALDH1A1 (0.50) ALDH1A1HRH4TDP1CYP1A2HRH2
Hydrochloric Acid SCHEMBL7310547 0.82 HTR1A (0.39) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL5604574 0.80 TDP1 (0.43) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL7762905 0.78 ALDH1A1 (0.59) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL15725296 0.75 TDP1 (0.48) ALDH1A1HRH4TDP1CYP1A2HRH2
SCHEMBL6051906 0.74 TSHR (0.44) TDP1CYP1A2TSHRCYP2C19CYP2C9
SCHEMBL14757404 0.74

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 7 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
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP 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
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 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-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 ALDH1A1 115/4885HRH4 1994/4885TDP1 2263/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 ALDH1A1 89/4885HRH4 2488/4885TDP1 2519/4885

“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.