SCHEMBL5657857

SCHEMBL5657857

O=CC1=C(Cl)c2cc3ccccc3cc2Oc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.38
MAOA P21397 2/20 0.35
CYP2A6 P11509 2/20 0.33
ELANE P08246 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TYMS P04818 1/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5658472 0.86 MAOB (0.39) MAOBMAOACYP2A6ACHERAB9A
SCHEMBL5668839 0.80 KIF11 (0.34) MAOBMAPK1MAOA
SCHEMBL5657363 0.77 KDM4E (0.41) MAOBMAPK1KDM4EATMMAOA
SCHEMBL24039793 0.73 MAPK1 (0.55) MAOBMAPK1KDM4EATMMAOA
SCHEMBL18159595 0.70 MAPK1 (0.46) MAOBMAPK1KDM4EATMMAOA
SCHEMBL5659564 0.70 L3MBTL1 (0.38) MAPK1KDM4EMAPTNPSR1TYMS
SCHEMBL4098698 0.69 STK17B (0.38) MAOBMAPK1KDM4EMAOAMAPT
SCHEMBL5659868 0.67 KIF11 (0.33)
SCHEMBL21831060 0.66 PARP1 (0.45) MAPK1KDM4EATMMAPTNPSR1
SCHEMBL13309031 0.65 MAPK1 (0.71) MAOBMAPK1KDM4EATMMAOA

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 MAOB 2392/4885MAPK1 415/4885KDM4E 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 MAOB 1806/4885MAPK1 363/4885KDM4E 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.