SCHEMBL6605220

SCHEMBL6605220

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(C3CCOC3)oc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PDE4D Q08499 6/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.40
PDE4C Q08493 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6604037 0.89 KMT2A (0.38) KMT2AMEN1PDE4DPDE4BPDE4A
SCHEMBL7013236 0.85 PDE4A (0.55) KMT2AMEN1PDE4DPDE4BPDE4A
SCHEMBL6606907 0.84 ALDH1A1 (0.40) KMT2AMEN1PDE4DPDE4BALDH1A1
SCHEMBL7425562 0.80 ALDH1A1 (0.43) KMT2AMEN1PDE4DPDE4BPDE4A
SCHEMBL7016046 0.80 PDE4A (0.54) KMT2AMEN1PDE4DPDE4BPDE4A
SCHEMBL6606553 0.80 PDE4D (0.49) PDE4DPDE4BPDE4APDE4CALDH1A1
SCHEMBL7050093 0.77 PDE4A (0.48) KMT2APDE4DPDE4BPDE4APDE4C
SCHEMBL6609206 0.76 ALDH1A1 (0.45) KMT2AALDH1A1KDM4EMAPTHPGD
SCHEMBL7429380 0.74 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL7055317 0.74 MAPT (0.43) KMT2APDE4DPDE4BPDE4APDE4C

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 KMT2A 2401/4885MEN1 649/4885PDE4D 3103/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B KMT2A 3514/4885MEN1 4047/4885PDE4D 34/4885

“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.