SCHEMBL2505706

SCHEMBL2505706

CCCCN1Cc2cc(Nc3cncc(-c4ccccc4)n3)ccc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
BRAF P15056 12/20 0.41
GRM5 P41594 1/20 0.40
KDR P35968 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
IDH1 O75874 1/20 0.37
PRF1 P14222 1/20 0.37

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
SCHEMBL2508327 0.83 HDAC6 (0.44) HDAC6GRM5KDM4EALDH1A1LMNA
SCHEMBL2505981 0.82 HDAC6 (0.44) HDAC6GRM5ALDH1A1IDH1PRF1
SCHEMBL2503427 0.80 HDAC6 (0.43) HDAC6GRM5KDM4EALDH1A1LMNA
SCHEMBL2506687 0.77 GRM5 (0.40) HDAC6GRM5KDM4EALDH1A1LMNA
SCHEMBL2506138 0.77 GRM5 (0.46) GRM5KDM4EALDH1A1LMNAGAA
SCHEMBL2509397 0.76 HDAC6 (0.44) HDAC6GRM5ALDH1A1IDH1PRF1
SCHEMBL2504269 0.76 HDAC6 (0.44) HDAC6GRM5LMNAIDH1
SCHEMBL2514240 0.75 IDH1 (0.40) HDAC6GRM5KDM4EALDH1A1LMNA
SCHEMBL2504281 0.73 HDAC6 (0.42) HDAC6GRM5PRF1
SCHEMBL2505087 0.73 GRM5 (0.42) GRM5KDM4EALDH1A1LMNAGAA

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-8314120-B2 Small molecule potentiators of metabotropic glutamate receptors ABBOTT GMBH & CO. KG (DE) 2012-11-20 US claimed
US-8314120-B2 Small molecule potentiators of metabotropic glutamate receptors ABBOTT GMBH & CO. KG (DE) 2012-11-20 US disclosed
US-20110245247-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS ABBOTT GMBH & CO. KG (DE) 2011-10-06 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-20110245247-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRIN2C, GRM3, GRM2 HDAC6 2622/4885BRAF 4459/4885GRM5 18/4885

“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.