SCHEMBL4075651

SCHEMBL4075651

Cn1c(Cl)nc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 4/20 0.50
HSD17B10 Q99714 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 3/20 0.49
CNR1 P21554 3/20 0.47
PKM P14618 1/20 0.46
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL4084116 0.83 CNR1 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2CNR1
SCHEMBL10989518 0.79 ALDH1A1 (0.47) KDM4EALDH1A1HPGDLMNAL3MBTL1
SCHEMBL822678 0.78 PTGER1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL11516631 0.78 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9725937 0.77 HPGD (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL8119176 0.76 BCHE (0.51) KDM4EALDH1A1HPGDSMN1; SMN2GAA
SCHEMBL23105448 0.74 CNR1 (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL7267265 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL23105432 0.74 FAAH (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4080155 0.73 CNR1 (0.65) KDM4EALDH1A1HPGDHSD17B10TSHR

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
US-7572785-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-7057051-B2 Substituted imidazoles as cannabinoid receptor modulators MERCK & CO., INC. (US) 2006-06-06 US disclosed
US-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators MERCK SHARP & DOHME CORP. 2003-06-19 US disclosed
WO-2003007887-A2 SUBSTITUTED IMIDAZOLES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-01-30 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-20060089356-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 KDM4E 1781/4885ALDH1A1 3232/4885HPGD 3177/4885
US-20030114495-A1 Substituted imidazoles as cannabinoid receptor modulators CNR1, CNR2, GPR119 KDM4E 1781/4885ALDH1A1 3232/4885HPGD 3177/4885

“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.