SCHEMBL5659564

SCHEMBL5659564

O=CC1=C(Cl)c2cc3ccccc3cc2Sc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 4/20 0.36
NOX1 Q9Y5S8 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
TP53 P04637 2/20 0.34
MTOR P42345 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
LMNA P02545 3/20 0.33
MEN1 O00255 1/20 0.33
GMNN O75496 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL24039429 0.73 MAPK1 (0.47) L3MBTL1MAPK1NOX1GAANPC1
SCHEMBL5657857 0.70 MAOB (0.38) MAPK1MAPTRAB9ANPSR1TP53
SCHEMBL21831060 0.66 PARP1 (0.45) L3MBTL1MAPK1MAPTNPSR1CYP3A4
SCHEMBL9507568 0.63 NOX1 (0.58) L3MBTL1MAPK1NOX1GAANPC1
SCHEMBL30493460 0.63 NOX1 (0.56) L3MBTL1MAPK1NOX1GAANPC1
SCHEMBL18979065 0.63 NOX1 (0.56) L3MBTL1MAPK1NOX1GAANPC1
SCHEMBL13692106 0.61 MAOA (0.47) NPC1MAPTRAB9ACYP1A2CYP2C19
Thianthrene SCHEMBL28867345 0.61 MAPT (0.54) MAPK1NOX1GAANPC1MAPT
SCHEMBL23190283 0.60 CYP1A2 (0.47) MAPK1NOX1GAANPC1MAPT
SCHEMBL5658125 0.60 ALDH1A1 (0.67) L3MBTL1MAPK1NOX1GAANPC1

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 4 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

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 L3MBTL1 2008/4885MAPK1 415/4885NOX1 394/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B L3MBTL1 1739/4885MAPK1 363/4885NOX1 441/4885

“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.