Sugi Predict

Sugi Predict / Compounds / SCHEMBL5659954

SCHEMBL5659954

SCHEMBL5659954

O=C1Cc2ccccc2Oc2cc3c(cc21)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ CYP2A6 P11509 1/20 0.40
▸ CDC25B P30305 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HPGD P15428 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ BRD4 O60885 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPT P10636 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
SCHEMBL5658535 0.81 MAOA (0.52) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL7112833 0.79 MAOA (0.50) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL4427203 0.78 MAOA (0.61) MAOAMAOBCYP2A6BCHECES1
SCHEMBL7108704 0.76 MAOA (0.46) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL2375779 0.75 HPGD (0.52) MAOAMAOBTSHRALDH1A1HPGD
SCHEMBL5642473 0.75 MAOB (0.48) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL7112829 0.75 ALDH1A1 (0.49) MAOAMAOBALDH1A1HPGDKDM4E
SCHEMBL11454990 0.75 MAOB (0.48) MAOAMAOBBCHECES1
SCHEMBL10844098 0.75 AHR (0.49) MAOAMAOBBCHECES1ALDH1A1
SCHEMBL5658039 0.75 MAOA (0.41) MAOAMAOBCYP2A6BCHECES1

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 MAOA 1255/4885MAOB 2392/4885CYP2A6 639/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B MAOA 1102/4885MAOB 1806/4885CYP2A6 393/4885

“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.