SCHEMBL5658550

SCHEMBL5658550

OCc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HTR1B P28222 5/20 0.46
HTR1D P28221 2/20 0.46
NR2E1 Q9Y466 1/20 0.44
KCNA3 P22001 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
OGG1 O15527 1/20 0.42
CYP2C9 P11712 1/20 0.42
PGR P06401 1/20 0.42
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
Ethylene Glycol SCHEMBL8646862 0.86 HTR1B (0.54) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5950358 0.85 SLC6A2 (0.50) KDM4EMAPK1SLC6A2SLC6A4
SCHEMBL30874068 0.84 MAPT (0.50) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL29577853 0.83 HTR1B (0.54) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL442767 0.83 HTR1B (0.54) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL8981668 0.83 HTR1B (0.44) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5659852 0.83 HTR1B (0.44) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL3155173 0.83 HTR1B (0.44) KDM4EMEN1KMT2ACYP1A2CYP2C19
SCHEMBL5658461 0.81 TDP1 (0.67) KDM4EMEN1KMT2ACYP1A2TDP1
Lithium SCHEMBL6571336 0.81 HTR1B (0.52) KDM4EMEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 US disclosed
EP-1492795-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2005-01-05 EP disclosed
WO-2003084961-A1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2003-10-16 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B KDM4E 2670/4885MEN1 2393/4885KMT2A 3976/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B KDM4E 2986/4885MEN1 1815/4885KMT2A 3918/4885

“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.