SCHEMBL5604574

SCHEMBL5604574

CN(C)CCSCCCN

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HRH4 Q9H3N8 2/20 0.35
CYP1A2 P05177 2/20 0.35
HRH2 P25021 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.34

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) TDP1CYP2C19CYP2C9CHRM2HTR1A
SCHEMBL5605130 0.84
Hydrochloric Acid SCHEMBL7310547 0.82 HTR1A (0.39) TDP1CYP2C19CYP2C9HTR1ADRD2
SCHEMBL11938143 0.81 HTR7 (0.42) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL789073 0.81 HTR7 (0.50) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL5604639 0.80 ALDH1A1 (0.45) TDP1CYP2C19CYP2C9CHRM2HTR1A
SCHEMBL11938139 0.78 HTR7 (0.48) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL11938142 0.78 HTR7 (0.48) TDP1HTR1ADRD2HTR2AHTR7
SCHEMBL422834 0.78
SCHEMBL18848499 0.77 DNM1 (0.48) TDP1CYP2C9HTR1ADRD2HTR2A

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 TDP1 2263/4885CYP2C19 5/4885CYP2C9 45/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 TDP1 2519/4885CYP2C19 5/4885CYP2C9 32/4885

“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.