SCHEMBL6605271

SCHEMBL6605271

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 9/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 5/20 0.38
HTT P42858 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
CCR6 P51684 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.37
MAPK1 P28482 1/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6609206 0.89 ALDH1A1 (0.45) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7050093 0.81 PDE4A (0.48) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6605487 0.79 NPC1 (0.38) KMT2AALDH1A1KDM4EMEN1GAA
SCHEMBL8267950 0.78 KMT2A (0.43) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7015228 0.77 PDE4A (0.51) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL6604037 0.76 KMT2A (0.38) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL13620929 0.75 MAPT (0.40) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7009162 0.75 PDE4A (0.53) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL7429369 0.75 BCHE (0.38) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL73947 0.75 PDE4D (0.42) KMT2AALDH1A1MAPTKDM4ESMN1; SMN2

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