SCHEMBL6606907

SCHEMBL6606907

COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c2cc(C3CCCO3)oc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
PDE4D Q08499 3/20 0.37
PDE4B Q07343 1/20 0.37
LMNA P02545 1/20 0.37

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 0.84 KMT2A (0.42) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL7425562 0.80 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL6605704 0.80 MAPK1 (0.46) ALDH1A1KMT2AKDM4ESMN1; SMN2HPGD
SCHEMBL7050093 0.77 PDE4A (0.48) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL6609206 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL7429380 0.74 ALDH1A1 (0.38) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL8005492 0.74 KMT2A (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL7055321 0.74 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL7055317 0.74 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL7055316 0.74 MAPT (0.43) ALDH1A1KMT2AMAPTKDM4ESMN1; 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 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.