SCHEMBL6605529

SCHEMBL6605529

COc1ccc(Br)c2cc(C3CCOC3)oc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
PRSS1 P07477 1/20 0.42
HTR6 P50406 2/20 0.40
PDE4D Q08499 8/20 0.39
PDE4B Q07343 4/20 0.39
PDE4A P27815 3/20 0.38
PDE4C Q08493 3/20 0.38
F2RL3 Q96RI0 3/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.34
LRRK2 Q5S007 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ERBB2 P04626 1/20 0.33
EPHA2 P29317 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
SCHEMBL31482697 0.92 PDE4D (0.42) F2PLGPLAUPLATKLK1
SCHEMBL31482723 0.86 PDE4D (0.47) PDE4DPDE4BF2RL3MAOAMAOB
SCHEMBL6603883 0.84 PDE4D (0.34) F2PLGPLAUPLATKLK1
SCHEMBL6606725 0.84 PDE4D (0.36) F2PLGPLAUPLATKLK1
SCHEMBL6606553 0.81 PDE4D (0.49) F2PLGPLAUPLATKLK1
SCHEMBL6603880 0.80 PDE4A (0.32) F2PLGPLAUPLATKLK1
SCHEMBL6604822 0.80 PDE4A (0.34) F2PLGPLAUPLATKLK1
SCHEMBL7017070 0.78 PDE4A (0.54) F2PLGPLAUPLATKLK1
SCHEMBL6605591 0.77 F2RL3 (0.38) PDE4DPDE4BF2RL3KDM4EALDH1A1
SCHEMBL6606639 0.76 SLC6A2 (0.47) F2PLGPLAUPLATKLK1

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 F2 1072/4885PLG 4751/4885PLAU 4462/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B F2 351/4885PLG 1418/4885PLAU 1316/4885

“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.