SCHEMBL2532969

SCHEMBL2532969

COc1cccc(NC(=O)c2ccc(Br)o2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.72
ALDH1A1 P00352 8/20 0.72
MAPT P10636 7/20 0.72
NPC1 O15118 7/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
LMNA P02545 3/20 0.72
PKM P14618 2/20 0.72
TSHR P16473 3/20 0.70
HPGD P15428 2/20 0.70
HTT P42858 2/20 0.70
GAA P10253 2/20 0.70
ALOX15 P16050 1/20 0.70
THRB P10828 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 5/20 0.65
MEN1 O00255 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
POLB P06746 1/20 0.63
RXFP1 Q9HBX9 1/20 0.61
MAPK10 P53779 1/20 0.60

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
SCHEMBL4394351 0.83 MAPT (1.00) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL3050945 0.82 RAB9A (0.74) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6427617 0.80 RAB9A (0.62) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6666790 0.80 GAA (0.72) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL31337431 0.80 MAPT (0.70) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL13088939 0.80 MAPT (0.62) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL3054262 0.80 ALDH1A1 (0.62) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6427162 0.79 RAB9A (0.65) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6427480 0.79 MEN1 (0.75) RAB9AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL6632076 0.79 NPC1 (1.00) RAB9AALDH1A1MAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US claimed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US claimed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US disclosed
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-10-06 US disclosed
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2005-02-03 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 (6 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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 RAB9A 1653/4885ALDH1A1 4659/4885MAPT 1940/4885
US-20050222408-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, NDUFS5 RAB9A 2836/4885ALDH1A1 2116/4885MAPT 4111/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 RAB9A 1653/4885ALDH1A1 4659/4885MAPT 1940/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 RAB9A 1653/4885ALDH1A1 4659/4885MAPT 1940/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 RAB9A 1653/4885ALDH1A1 4659/4885MAPT 1940/4885
US-20050026968-A1 Heterocyclic amides with anti-tuberculosis activity TST, KAT5, HDAC5 RAB9A 3116/4885ALDH1A1 2819/4885MAPT 3783/4885

“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.