SCHEMBL6604037

SCHEMBL6604037

O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc(OC(F)F)c2oc(C3CCOC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 4/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 4/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
CCR6 P51684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
PDE4D Q08499 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL6605220 0.89 KMT2A (0.42) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6604464 0.81 PDE4D (0.41) MAPTPDE4DPDE4APDE4BPDE4C
SCHEMBL7013236 0.78 PDE4A (0.55) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6605271 0.76 KMT2A (0.41) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL8267950 0.75 KMT2A (0.43) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6606907 0.73 ALDH1A1 (0.40) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL7016046 0.72 PDE4A (0.54) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL6606725 0.72 PDE4D (0.36) PDE4DPDE4APDE4BPDE4C
SCHEMBL73947 0.71 PDE4D (0.42) KMT2AALDH1A1MAPTKDM4EMEN1
SCHEMBL5799497 0.71 RXFP1 (0.43) KMT2AALDH1A1MAPTKDM4EMEN1

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.