SCHEMBL6603922

SCHEMBL6603922

Oc1cccc2cc(C3CCOC3)oc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.38
ADORA2A P29274 5/20 0.37
ADORA1 P30542 5/20 0.37
ADORA3 P0DMS8 3/20 0.37
MAOB P27338 3/20 0.37
KDM4E B2RXH2 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TMIGD3 P0DMS9 3/20 0.37
LCK P06239 1/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
GAPDH P04406 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL28792227 0.84 MAOA (0.44) MAOAADORA2AADORA1ADORA3MAOB
SCHEMBL29876097 0.84 MAOA (0.44) MAOAADORA2AADORA1ADORA3MAOB
SCHEMBL6606639 0.80 SLC6A2 (0.47) ADORA2AADORA1ADORA3KDM4ECA12
SCHEMBL6604822 0.75 PDE4A (0.34)
SCHEMBL8300989 0.75 QDPR (0.45) MAOAMAOBBCHEACHE
SCHEMBL6608002 0.74 SLC6A2 (0.34) KDM4ECA12CA1CA2CA9
SCHEMBL31270139 0.74 NPC1 (0.44) BCHEACHEPIK3CDPIK3CACYP1B1
SCHEMBL7454055 0.73 SLC6A2 (0.33) KDM4ECA12CA1CA2CA9
SCHEMBL7454053 0.73 SLC6A2 (0.33) KDM4E
SCHEMBL7012791 0.71 PDE4A (0.45) MAOAMAOB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257548-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2004-05-06 EP disclosed
EP-1257548-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 2002-11-20 EP disclosed
US-6455561-B1 ADMINISTERING BENZOFURAN DERIVATIVE FOR THERAPY OF DISEASE STATE THAT IS CAPABLE OF BEING MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2002-09-24 US disclosed
US-20020022645-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-02-21 US disclosed
US-6331556-B2 BENZOFURAN-4-CARBOXYLIC ACID AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-12-18 US disclosed
US-20010031777-A1 Heterocyclic compounds and their therapeutic use DARWIN DISCOVERY LIMITED (GB) 2001-10-18 US disclosed
WO-2001058895-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO 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-20010031777-A1 Heterocyclic compounds and their therapeutic use CYP2F1, CYP11B2, CYP3A7 MAOA 2162/4885ADORA2A 3156/4885ADORA1 1199/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B MAOA 170/4885ADORA2A 2185/4885ADORA1 1335/4885

“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.