SCHEMBL6837473

SCHEMBL6837473

COc1ccc(Cn2cc(B(O)O)c(C(C)=O)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.43
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
CACNA1G O43497 3/20 0.42
CACNA1H O95180 3/20 0.42
CACNA1I Q9P0X4 3/20 0.42
MEN1 O00255 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
HDAC1 Q13547 1/20 0.41
CMA1 P23946 1/20 0.41
SNCA P37840 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CYP19A1 P11511 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL25333190 0.88 SMN1; SMN2 (0.45) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL899018 0.84 AADAT (0.45) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL369192 0.83 AADAT (0.44) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL15182512 0.76 UCHL1 (0.52) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL370448 0.76 L3MBTL1 (0.48) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL4100807 0.75 ALDH1A1 (0.49) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL15182553 0.75 KMT2A (0.46) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL370291 0.75 KMT2A (0.46) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL25334568 0.75 NPC1 (0.54) AADATKMT2ANPC1CACNA1GCACNA1H
SCHEMBL14823853 0.75 KMT2A (0.46) AADATKMT2ANPC1CACNA1GCACNA1H

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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. MERCK SHARP & DOHME CORP. 2013-08-15 US disclosed
WO-2012008999-A2 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012006760-A1 TRICYCLIC COMPOUNDS AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130210807-A1 Tricyclic Compounds as Allosteric Modulators of Metabotropic Glutamate Receptors. GRM3, GRM6, GRM1 AADAT 3254/4885KMT2A 701/4885NPC1 3248/4885

“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.