SCHEMBL9017578

SCHEMBL9017578

C=CC(=O)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 6/20 1.00
ALDH1A1 P00352 5/20 0.69
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HPGD P15428 2/20 0.60
PGR P06401 1/20 0.60
POLB P06746 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LPAR1 Q92633 1/20 0.59
LPAR2 Q9HBW0 1/20 0.59
LPAR3 Q9UBY5 1/20 0.59
EGFR P00533 1/20 0.58
ERBB2 P04626 1/20 0.58
LMNA P02545 3/20 0.57
THRB P10828 1/20 0.57
RNF4 P78317 1/20 0.57
F13A1 P00488 1/20 0.56
TGM1 P22735 1/20 0.56
TGM3 Q08188 1/20 0.56
NPC1 O15118 2/20 0.56

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
SCHEMBL14341775 0.93 TGM2 (0.86) TGM2ALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL20469634 0.88 TGM2 (0.78) TGM2ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL22732031 0.85 TGM2 (0.74) TGM2ALDH1A1MAPTHPGDPOLB
SCHEMBL20456243 0.85 TGM2 (0.73) TGM2ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL20456547 0.85 TGM2 (0.90) TGM2ALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL690318 0.84 TGM2 (0.71) TGM2ALDH1A1EGFRERBB2NPC1
SCHEMBL21392902 0.84 TGM2 (0.71) TGM2ALDH1A1LPAR1LPAR2LPAR3
SCHEMBL21392907 0.84 TGM2 (0.71) TGM2ALDH1A1SMN1; SMN2HPGDEGFR
SCHEMBL8151744 0.84 MTNR1B (0.74) TGM2ALDH1A1SMN1; SMN2PGRPOLB
SCHEMBL18559537 0.83 TGM2 (0.71) TGM2ALDH1A1MAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263760-A Method for synthesizing tetrahydrobenzene-1-formamide compound by photocatalysis 西南医科大学 2023-12-22 CN disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-27 US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-20 US disclosed
CN-110785426-A Compositions and methods for modulating PPP2R1A 加利福尼亚大学董事会 2020-02-11 CN disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 US disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144871-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144870-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
WO-2018144869-A1 COMPOSITONS AND METHODS FOR MODULATING UBA5 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-08-09 WO disclosed
EP-0533573-B1 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1996-12-04 EP disclosed
EP-0533573-A2 Derivatives of 3-cyclo alkyl-propen-2-amide, their tautomeres and salts and their use as antiinflammatory agents ROUSSEL UCLAF (FR) 1993-03-24 EP 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 (4 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-20200062696-A1 COMPOSITIONS AND METHODS FOR INHIBITING RETICULON 4 RTN4, RTN3, RCN1 TGM2 2492/4885ALDH1A1 4014/4885MAPT 4299/4885
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 TGM2 2225/4885ALDH1A1 4188/4885MAPT 442/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 TGM2 3684/4885ALDH1A1 2969/4885MAPT 961/4885
US-20200054651-A1 COMPOSITIONS AND METHODS FOR MODULATING PPP2R1A PPP2R1A, PPP3CA, PPP2R2A TGM2 4063/4885ALDH1A1 2930/4885MAPT 3345/4885

“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.