SCHEMBL8308859

SCHEMBL8308859

O=[N+]([O-])c1ccc(Sc2ccccc2)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 9/20 1.00
PDE7B Q9NP56 2/20 0.73
PDE4B Q07343 1/20 0.73
PDE4D Q08499 1/20 0.73
LMNA P02545 7/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
USP2 O75604 1/20 0.57
ALPG P10696 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 2/20 0.50
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP19A1 P11511 1/20 0.47

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
SCHEMBL1149232 0.87 PDE7A (0.78) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL10924255 0.86 PDE7A (0.76) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL27581742 0.86 PDE7A (0.75) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL7607910 0.85 PDE7A (0.78) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL2030452 0.85 PDE7A (0.74) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL715750 0.84 PDE7A (1.00) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL7608814 0.83 PDE7A (0.71) PDE7APDE7BPDE4BPDE4DLMNA
SCHEMBL6039967 0.82 TXNRD1 (0.74) PDE7APDE7BLMNAALDH1A1MAPT
SCHEMBL8865858 0.82 PDE7A (0.69) PDE7APDE7BPDE4BPDE4DALDH1A1
SCHEMBL3029788 0.81 PDE7A (0.68) PDE7APDE7BPDE4BPDE4DLMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948440-B1 ANTIVIRAL TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
EP-2948440-B1 ANTIVIRAL TRIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-04-12 EP disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-9511059-B2 Antiviral compounds HOFFMANN-LA ROCHE INC. (US) 2016-12-06 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
US-20150353511-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. 2015-12-10 US disclosed
EP-2948440-A1 ANTIVIRAL TRIAZOLE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-12-02 EP disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US disclosed
US-20140242028-A1 ANTIVIRAL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2014-08-28 US disclosed
WO-2014114573-A1 ANTIVIRAL TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 WO disclosed
WO-2014114573-A1 ANTIVIRAL TRIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-07-31 WO disclosed
EP-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 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-20140242028-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PDE7A 3489/4885PDE7B 1110/4885PDE4B 947/4885
US-20150353511-A1 ANTIVIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS PDE7A 3489/4885PDE7B 1110/4885PDE4B 947/4885

“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.