SCHEMBL6609206

SCHEMBL6609206

COCc1cc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)ccc(OC)c2o1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 7/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
PDE7A Q13946 2/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE3A Q14432 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7050093 0.91 PDE4A (0.48) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL6605271 0.89 KMT2A (0.41) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL7429369 0.84 BCHE (0.38) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL7015228 0.83 PDE4A (0.51) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL7055317 0.79 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL7425562 0.79 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL8005492 0.79 KMT2A (0.43) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL7055321 0.79 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL7055316 0.79 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4EHPGD
SCHEMBL6605220 0.76 KMT2A (0.42) ALDH1A1KMT2AMAPTKDM4EHPGD

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 ALDH1A1 942/4885KMT2A 2401/4885MAPT 3923/4885
US-20020022645-A1 Heterocyclic compounds and their therapeutic use EPX, MPO, PDE3B ALDH1A1 379/4885KMT2A 3514/4885MAPT 4853/4885

“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.