SCHEMBL5658461

SCHEMBL5658461

O=C(O)Cc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
CXCL8 P10145 2/20 0.62
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
CHRM1 P11229 1/20 0.55
MCL1 Q07820 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
CAMK2A Q9UQM7 2/20 0.47
HSD17B10 Q99714 2/20 0.46
CYP1A2 P05177 1/20 0.46
AKR1B1 P15121 1/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL11094218 0.88 TDP1 (0.59) TDP1CXCL8KDM4EALDH1A1HPGD
SCHEMBL11097326 0.86 CXCL8 (0.79) TDP1CXCL8CHRM1L3MBTL1CAMK2A
SCHEMBL5696891 0.83 TDP1 (0.96) TDP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL5658550 0.81 KDM4E (0.49) TDP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL29607554 0.81 TDP1 (1.00) TDP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL27710793 0.81 TDP1 (1.00) TDP1KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL35925 0.81 TDP1 (1.00) TDP1KDM4EALDH1A1HPGDL3MBTL1
Naphthyloxyacetic Acid SCHEMBL8920389 0.80 ALDH1A1 (0.79) TDP1KDM4EALDH1A1HPGDMCL1
SCHEMBL3955514 0.79 TDP1 (0.96) TDP1KDM4EALDH1A1HPGDL3MBTL1
Ammonia Solution, Strong SCHEMBL22115500 0.79 TDP1 (0.96) TDP1KDM4EALDH1A1HPGDL3MBTL1

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 TDP1 1364/4885CXCL8 681/4885KDM4E 2670/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B TDP1 2326/4885CXCL8 415/4885KDM4E 2986/4885

“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.