SCHEMBL3849945

SCHEMBL3849945

Fc1ccc(Cn2c[c]c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 2/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.40
APP P05067 1/20 0.40
SNCA P37840 1/20 0.40
CYP19A1 P11511 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
THRB P10828 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL694560 0.86 TNF (0.44) ALDH1A1SMN1; SMN2POLBCYP11B1CYP11B2
SCHEMBL4600343 0.85 DBH (0.37) ALDH1A1HTTSMN1; SMN2POLBCYP11B1
SCHEMBL5198251 0.83 APP (0.40) HTTSMN1; SMN2CYP11B1CYP11B2LMNA
SCHEMBL3086235 0.83 TP53 (0.38) HTTSMN1; SMN2POLBCYP11B1CYP11B2
SCHEMBL3079071 0.83 LMNA (0.50) ALDH1A1HTTSMN1; SMN2POLBCYP11B1
SCHEMBL5138333 0.83 HTR6 (0.45) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL29136173 0.83 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2POLBMEN1
SCHEMBL17956236 0.81 CNR1 (0.40) ALDH1A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL2117187 0.81 CD74 (0.40) ALDH1A1HTTSMN1; SMN2CYP11B1CYP11B2
SCHEMBL3088022 0.80 ALOX5AP (0.40) ALDH1A1HTTSMN1; SMN2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US claimed
CN-1886391-A Teramic acid and threonine as beta-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN claimed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP claimed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US claimed
CN-117003739-A Nitrogen-containing heterocyclic compound, preparation method and application thereof 安徽中医药大学 2023-11-07 CN disclosed
US-7579365-B2 Indolyl-3-glyoxylic acid derivatives having antitumor action ZIOPHRAM ONCOLOGY, INC. (US) 2009-08-25 US disclosed
US-20080132562-A1 TETRONIC AND TETRAMIC ACIDS GODEL THIERRY 2008-06-05 US disclosed
CN-1886391-A Teramic acid and threonine as beta-secretase inhibitors HOFFMANN LA ROCHE (CH) 2006-12-27 CN disclosed
EP-1689729-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. Hoffmann-La Roche AG (CH) 2006-08-16 EP disclosed
WO-2005058857-A1 TETRONIC AND TETRAMIC ACIDS AS INHIBITORS OF BETA-SECREASE F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO disclosed
US-20050119329-A1 Tetronic and tetramic acids HOFFMANN-LA ROCHE INC. 2005-06-02 US disclosed
EP-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 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 (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-20080132562-A1 TETRONIC AND TETRAMIC ACIDS BACE1, PSEN1, BACE2 ALDH1A1 2826/4885HTT 81/4885SMN1; SMN2 1277/4885
US-20050119329-A1 Tetronic and tetramic acids BACE1, PSEN1, BACE2 ALDH1A1 2826/4885HTT 81/4885SMN1; SMN2 1277/4885

“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.