SCHEMBL972904

SCHEMBL972904

Cc1nn(C)c(CCl)c1C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32

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
SCHEMBL2612158 0.80 GAA (0.40) GAAKDM4EADORA2AADORA2B
SCHEMBL7981164 0.79 KDM4E (0.43) GAAKDM4EADORA2AADORA2B
SCHEMBL25944182 0.76 ADORA2A (0.32) KDM4EADORA2AADORA2B
SCHEMBL971496 0.76 KDM4E (0.34) GAAKDM4EADORA2AADORA2B
SCHEMBL14496271 0.76 GAA (0.33) GAAKDM4EADORA2AADORA2B
SCHEMBL972069 0.76 KDM4E (0.34) GAAKDM4EADORA2AADORA2B
SCHEMBL27880863 0.76 ADORA2A (0.32) KDM4EADORA2AADORA2B
Ammonia Solution, Strong SCHEMBL3404011 0.74 KDM4E (0.33) GAAKDM4EADORA2AADORA2B
SCHEMBL13438130 0.73 TKT (0.43) GAAKDM4EADORA2AADORA2B
SCHEMBL25938958 0.73 ALDH1A1 (0.31) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds BASF SE (DE) 2011-01-20 US disclosed
EP-2252590-A1 SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS BASF SE (DE) 2010-11-24 EP disclosed
WO-2009101082-A1 SUBSTITUTED SULFONIC ACID AMIDE COMPOUNDS BASF SE (DE) 2009-08-20 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 (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-20110015065-A1 Substituted Sulfonic Acid Amide Compounds STS, NAPA, NAAA GAA 780/4885KDM4E 3294/4885ADORA2A 2148/4885

“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.