SCHEMBL6606639

SCHEMBL6606639

COc1cccc2cc(C3CCOC3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
CYP2A6 P11509 1/20 0.46
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 5/20 0.44
RAB9A P51151 5/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
PKM P14618 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL28792307 0.86 SLC6A2 (0.53) SLC6A2SLC6A4CYP2A6LMNARECQL
SCHEMBL29876774 0.86 SLC6A2 (0.53) SLC6A2SLC6A4CYP2A6LMNARECQL
SCHEMBL6608002 0.83 SLC6A2 (0.34) SLC6A2SLC6A4ALDH1A1RAB9AKMT2A
SCHEMBL7454055 0.82 SLC6A2 (0.33) SLC6A2SLC6A4ALDH1A1RAB9AKMT2A
SCHEMBL7454053 0.81 SLC6A2 (0.33) SLC6A2SLC6A4ALDH1A1RAB9AKMT2A
SCHEMBL6603922 0.80 MAOA (0.38) KDM4ECA12CA1CA2CA9
SCHEMBL10906155 0.80 MAOA (0.56) SLC6A2SLC6A4CYP2A6LMNARECQL
SCHEMBL8300351 0.78 SLC6A2 (0.59) SLC6A2SLC6A4CYP2A6LMNARECQL
SCHEMBL7012791 0.77 PDE4A (0.45) F2PLGPLAUPLATKLK1
SCHEMBL6605529 0.76 F2 (0.42) ALDH1A1KDM4EMAPTHTTF2

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 SLC6A2 1510/4885SLC6A4 2066/4885CYP2A6 323/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B SLC6A2 3437/4885SLC6A4 3498/4885CYP2A6 822/4885

“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.