SCHEMBL5658472

SCHEMBL5658472

COc1ccc2cc3c(cc2c1)Oc1ccccc1C(C=O)=C3Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.39
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 7/20 0.38
CYP11B2 P19099 7/20 0.38
ACHE P22303 1/20 0.38
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
NPBWR1 P48145 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
PTGS2 P35354 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL5657857 0.86 MAOB (0.38) MAOBCYP2A6ACHERAB9AMAOA
SCHEMBL5668839 0.71 KIF11 (0.34) MAOBMAOA
SCHEMBL4098698 0.71 STK17B (0.38) MAOBCYP1A2ACHEMAOA
SCHEMBL5658380 0.69 NPC1 (0.43) MAOBCYP2A6CYP1A2ACHECYP19A1
SCHEMBL27847892 0.68 CYP1A2 (0.76) CYP2A6CYP1A2CYP11B1CYP11B2CYP2C9
SCHEMBL5657363 0.68 KDM4E (0.41) MAOBCYP2A6CYP1A2CYP19A1CYP2C9
SCHEMBL5414434 0.68 CYP11B1 (0.37) CYP2A6CYP1A2CYP11B1CYP11B2ACHE
SCHEMBL5251983 0.67 CYP2A6 (0.56) MAOBCYP2A6CYP1A2RAB9ANPC1
SCHEMBL806603 0.65 TRPA1 (0.48) MAOBCYP2A6CYP1A2ACHECYP19A1
SCHEMBL21165169 0.64 CYP2A6 (0.41) MAOBCYP2A6CYP1A2ACHERAB9A

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 2392/4885CYP2A6 639/4885CYP1A2 408/4885
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 1806/4885CYP2A6 393/4885CYP1A2 420/4885

“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.