SCHEMBL4331185

SCHEMBL4331185

O=C(Nc1ncc(Cl)cc1Cl)c1nc(CN2CCS(O)(O)CC2)c2ccccn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.51
CNR2 P34972 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 5/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
GAA P10253 2/20 0.37
PTBP1 P26599 2/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
PABPC1 P11940 1/20 0.37
NR4A1 P22736 2/20 0.36
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL4331188 0.93 CNR1 (0.59) CNR1CNR2SMN1; SMN2RAB9ALMNA
SCHEMBL4318754 0.88 CNR2 (0.60) CNR1CNR2SMN1; SMN2RAB9ALMNA
SCHEMBL4327319 0.87 CNR2 (0.54) CNR1CNR2ALDH1A1
SCHEMBL4334779 0.86 CNR1 (0.56) CNR1CNR2SMN1; SMN2RAB9AHTT
SCHEMBL4321804 0.83 CNR1 (0.55) CNR1CNR2SMN1; SMN2RAB9ALMNA
SCHEMBL4326981 0.83 CNR1 (0.55) CNR1CNR2SMN1; SMN2RAB9ALMNA
SCHEMBL4334584 0.81 CNR2 (0.57) CNR1CNR2RAB9ALMNANPSR1
SCHEMBL4333482 0.80 CNR2 (0.52) CNR1CNR2
SCHEMBL4331300 0.80 CNR1 (0.52) CNR1CNR2SMN1; SMN2RAB9AMAPT
SCHEMBL4327321 0.80 CNR1 (0.63) CNR1CNR2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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 (1 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 CNR1 2/4885CNR2 1/4885SMN1; SMN2 3374/4885

“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.