SCHEMBL1969597

SCHEMBL1969597

CC(C)c1c[nH]c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
EIF4A3 P38919 6/20 0.46
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NOTUM Q6P988 2/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
DAO P14920 1/20 0.39
GAA P10253 1/20 0.39
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL279718 0.82 CCNC (0.43) TDP1EIF4A3FABP3FABP4SMN1; SMN2
SCHEMBL1969064 0.79 ALDH1A1 (0.55) GAA
SCHEMBL26999662 0.79 TDP1 (0.47) TDP1EIF4A3SMN1; SMN2NOTUMRAB9A
SCHEMBL23952006 0.77 ALDH1A1 (0.54) TDP1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL29148873 0.76 NOTUM (0.55) TDP1EIF4A3ALKBH5SMN1; SMN2NOTUM
SCHEMBL15469076 0.75 DYRK1A (0.55) EIF4A3FABP3FABP4ALKBH5NOTUM
SCHEMBL18415350 0.75 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1GAAALOX15
SCHEMBL21180765 0.74 ALDH1A1 (0.42) SMN1; SMN2RAB9APKMGAAALOX15
SCHEMBL18665439 0.73 CREBBP (0.37) TDP1SMN1; SMN2RAB9ANPC1GAA
Hydrochloric Acid SCHEMBL17597705 0.73 DYRK1A (0.53) EIF4A3FABP3FABP4ALKBH5NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
CN-101218234-B Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2011-12-14 CN disclosed
EP-1912979-B1 PHENYL-{3-(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2011-06-22 EP disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
CN-101218234-A Phenyl-3-{(3-(1H-pyrrol-2-yl)-[1,2,4]oxadiazol-5-yl]piperidin-1-yl}-methanone derivatives and related compounds as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2008-07-09 CN disclosed
EP-1912979-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1,2,4]OXADIAZOL-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-04-23 EP disclosed
WO-2006123257-A2 PHENYL-3-{(3-(1H-PYRROL-2-YL)-[1, 2 , 4]0XADIAZ0L-5-YL]PIPERIDIN-1-YL}-METHANONE DERIVATIVES AND RELATED COMPOUNDS AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 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 (2 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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS TDP1 69/4885EIF4A3 2951/4885FABP3 2696/4885
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 TDP1 2125/4885EIF4A3 1591/4885FABP3 1598/4885

“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.