SCHEMBL5658039

SCHEMBL5658039

O=C1Cc2ccccc2Oc2c1ccc1c2CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
AKR1B1 P15121 1/20 0.38
CYP2A6 P11509 1/20 0.37
NQO1 P15559 2/20 0.36
PARP1 P09874 1/20 0.35
CES1 P23141 3/20 0.35
BCHE P06276 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
TSHR P16473 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
CTRC Q99895 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 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
SCHEMBL5659954 0.75 MAOA (0.48) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL1889028 0.75 KMT2A (0.49) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL7110536 0.74 PSMB5 (0.49) MAOAMAOBKDM4EATM
SCHEMBL5657956 0.74 CYP19A1 (0.47) MAOAMAOBCES1BCHEALDH1A1
SCHEMBL4427203 0.71 MAOA (0.61) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL5659868 0.70 KIF11 (0.33) AKR1B1NQO1CTRC
SCHEMBL7110728 0.69 PTGS2 (0.43) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL430270 0.69 MAOA (0.40) MAOAMAOBCYP2A6NQO1PARP1
SCHEMBL29800444 0.69 MAOA (0.62) MAOAMAOBCYP2A6CES1BCHE
SCHEMBL57888 0.69 MAOA (0.62) MAOAMAOBCYP2A6CES1BCHE

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 2392/4885AKR1B1 330/4885
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 1806/4885AKR1B1 134/4885

“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.