SCHEMBL2501696

SCHEMBL2501696

CCCCN1Cc2cc(B(O)O)ccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.44
GRM5 P41594 3/20 0.44
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
HTR7 P34969 1/20 0.36
LPL P06858 2/20 0.36
LIPG Q9Y5X9 2/20 0.36
IDH1 O75874 1/20 0.35
GRM1 Q13255 2/20 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
SCHEMBL29956413 0.92 LMNA (0.42) PRF1GRM5HDAC6KDM4EALOX15
SCHEMBL29955396 0.86 PRF1 (0.40) PRF1GRM5HDAC6KDM4EALOX15
SCHEMBL2559421 0.85 PRF1 (0.43) PRF1HDAC6KDM4EALOX15TSHR
SCHEMBL2499130 0.82 GRM5 (0.46) PRF1GRM5HDAC6KDM4EALOX15
SCHEMBL29956886 0.81 ALDH1A1 (0.42) PRF1GRM5KDM4EALOX15TSHR
SCHEMBL2627975 0.79 PARP1 (0.47) HDAC6KDM4EALOX15TSHRSIRT1
SCHEMBL2504791 0.79 KDM4E (0.52) PRF1GRM5HDAC6KDM4EALOX15
SCHEMBL2504781 0.79 GRM5 (0.46) PRF1GRM5HDAC6KDM4EALOX15
SCHEMBL289469 0.78 UGCG (0.39) PRF1GRM5PARP1
SCHEMBL29431366 0.78 UGCG (0.39) PRF1GRM5PARP1

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 2 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 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 PRF1 4486/4885GRM5 18/4885HDAC6 2622/4885

“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.