SCHEMBL4697741

SCHEMBL4697741

CCOC(=O)c1[nH]c2ccc(-c3ccc(OC(C)C)cc3)cc2c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 7/20 0.50
HPGD P15428 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 3/20 0.46
CYP1A2 P05177 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
TUBB4A P04350 4/20 0.44
TUBB P07437 4/20 0.44
TUBA3C P0DPH7 4/20 0.44
TUBA1B P68363 4/20 0.44
TUBA4A P68366 4/20 0.44
TUBB4B P68371 4/20 0.44
TUBB3 Q13509 4/20 0.44

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
SCHEMBL4022950 0.81 ALDH1A1 (0.51) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL6598094 0.80 ALDH1A1 (0.58) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5268590 0.79 ALDH1A1 (0.55) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5270537 0.78 ALDH1A1 (0.54) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL829961 0.78 ALDH1A1 (0.71) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5212633 0.78 ALDH1A1 (0.49) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5738725 0.78 ALOX5 (0.49) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL5265090 0.77 MAPT (0.66) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL18531909 0.77 GAA (0.63) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL17600647 0.77 ALDH1A1 (0.57) MAPTALDH1A1KDM4EHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP claimed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP claimed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO claimed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 US claimed
EP-1926737-B1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-03-15 EP disclosed
EP-1778633-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-12-03 EP disclosed
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-08-07 US disclosed
EP-1926737-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-04 EP disclosed
EP-1778633-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2007031428-A1 4-AMINO-THIENO[3,2-C]PYRIDINE-7-CARBOXYLIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 WO disclosed
US-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BARTKOVITZ DAVID J 2007-03-15 US disclosed
US-20060160879-A1 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2006-07-20 US disclosed
EP-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005123674-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 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 (3 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-20070060607-A1 4-amino-thieno[3,2-c] pyridine-7-carboxylic acid derivatives BRAF, RAF1, MAP3K7 MAPT 3633/4885ALDH1A1 933/4885KDM4E 1556/4885
US-20060160879-A1 Indoles useful in the treatment of inflammation IDO1, PTGS1, IDO2 MAPT 3503/4885ALDH1A1 526/4885KDM4E 1962/4885
US-20080188473-A1 Indoles Useful in the Treatment of Inflammation IDO1, PTGS1, PTGER1 MAPT 3535/4885ALDH1A1 543/4885KDM4E 2149/4885

“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.