SCHEMBL5604785

SCHEMBL5604785

O=Cc1c(Cl)cc(CN2CCOCC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.51
CYP2A13 Q16696 4/20 0.47
ALDH3A1 P30838 1/20 0.46
ALDH1A3 P47895 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KCNJ1 P48048 1/20 0.45
TSHR P16473 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
NCF1 P14598 1/20 0.44
AKR1C3 P42330 1/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 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
SCHEMBL18006798 0.86 POLB (0.50) HRH3SMN1; SMN2ALDH1A1TSHRSIGMAR1
SCHEMBL13032564 0.77 HRH3 (0.56) HRH3CYP2A13SMN1; SMN2MAPTLMNA
SCHEMBL7314464 0.76 KDM4E (0.64) SMN1; SMN2MAPTALDH1A1TSHRNPC1
SCHEMBL207661 0.76 HRH3 (0.65) HRH3ALDH3A1ALDH1A3SMN1; SMN2MAPT
SCHEMBL12295393 0.75 MAPT (0.62) HRH3CYP2A13SMN1; SMN2MAPTMEN1
SCHEMBL793450 0.74 HRH3 (0.56) HRH3CYP2A13SMN1; SMN2MAPTLMNA
SCHEMBL14058774 0.74 HRH3 (0.67) HRH3SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL5618352 0.74 SMN1; SMN2 (0.71) HRH3CYP2A13SMN1; SMN2MEN1KMT2A
SCHEMBL15467001 0.73 HRH3 (0.87) HRH3CYP2A13SMN1; SMN2MAPTLMNA
SCHEMBL31528286 0.72 NCF1 (0.62) HRH3CYP2A13ALDH3A1ALDH1A3SMN1; SMN2

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 HRH3 3671/4885CYP2A13 143/4885ALDH3A1 283/4885
US-20040214874-A1 2-(2,6-Dichlorophenyl)-Diarylimidazoles CYP2D6, CYP1A2, CYP2F1 HRH3 3990/4885CYP2A13 131/4885ALDH3A1 270/4885

“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.