SCHEMBL739903

SCHEMBL739903

O=c1[nH]c2ccccc2n1CC1(O)CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR7 P34969 5/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
DAO P14920 1/20 0.43
IDO1 P14902 1/20 0.42
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 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
SCHEMBL739683 0.87 HTR7 (0.49) MEN1CYP1A2KMT2AHTR7LMNA
SCHEMBL739228 0.73 HTR7 (0.73) MEN1CYP1A2KMT2AHTR7LMNA
Hydrochloric Acid SCHEMBL9725420 0.72 HTR7 (0.71) MEN1CYP1A2KMT2AHTR7LMNA
SCHEMBL21463542 0.72 HPGD (0.56) MEN1CYP1A2KMT2AHTR7LMNA
SCHEMBL13007482 0.72 CNR2 (0.50) CNR1CNR2
SCHEMBL23997185 0.71 MEN1 (0.59) MEN1CYP1A2KMT2AHTR7LMNA
SCHEMBL4037944 0.70 LMNA (0.74) MEN1CYP1A2KMT2AHTR7LMNA
SCHEMBL739270 0.70 HPGD (0.76) MEN1CYP1A2KMT2AHTR7LMNA
SCHEMBL24117016 0.69 AURKA (0.38) MEN1CYP1A2KMT2ALMNAHTT
SCHEMBL13593947 0.69 MEN1 (0.49) MEN1CYP1A2KMT2AHTR7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US disclosed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 MEN1 2819/4885CYP1A2 1782/4885KMT2A 4384/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 MEN1 3613/4885CYP1A2 1751/4885KMT2A 4607/4885

“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.