SCHEMBL2513409

SCHEMBL2513409

CCCCN1Cc2cc(NCc3c(Cl)cc(C)nc3Cl)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.39
CRBN Q96SW2 1/20 0.36
PRF1 P14222 1/20 0.35
GRM5 P41594 2/20 0.34
ADRA2B P18089 1/20 0.33
GAA P10253 2/20 0.33
PIK3CA P42336 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GRM1 Q13255 2/20 0.32
IDH1 O75874 2/20 0.32
DPP4 P27487 1/20 0.32
HTR4 Q13639 1/20 0.32
CCR2 P41597 1/20 0.32
MET P08581 1/20 0.32
CRHR1 P34998 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2510563 0.85 IDH1 (0.38) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2511407 0.83 HDAC6 (0.41) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2510555 0.80 HDAC6 (0.40) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2512874 0.79 HDAC6 (0.39) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2511462 0.78 CRBN (0.36) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2509909 0.78 GAA (0.41) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2509721 0.77 HTR4 (0.37) HDAC6CRBNPRF1GRM5GAA
SCHEMBL2512903 0.76 PDCD1LG2 (0.37) HDAC6CRBNPRF1GRM5GAA
SCHEMBL18668940 0.74 ALDH1A1 (0.39) HDAC6GAATP53MAPTTHRB
SCHEMBL2515759 0.73 MAPT (0.45) HDAC6GAAMAPTKDM4EALDH1A1

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-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US claimed
US-8664214-B2 Small molecule potentiators of metabotropic glutamate receptors I AbbVie Deutschland GmbH & Co. KG (DE) 2014-03-04 US disclosed
US-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I 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-20110245232-A1 NOVEL SMALL MOLECULE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS I GRM3, GRIN2C, GRIN2B HDAC6 2366/4885CRBN 1692/4885PRF1 4454/4885

“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.