SCHEMBL1455693

SCHEMBL1455693

Nc1ccc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 4/20 0.64
PDE7B Q9NP56 1/20 0.64
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.57
BCL2L1 Q07817 2/20 0.57
POLB P06746 2/20 0.57
APEX1 P27695 1/20 0.57
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.55
HTT P42858 1/20 0.54
CASP6 P55212 1/20 0.54
GSTP1 P09211 1/20 0.53
GSTM2 P28161 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL18779462 0.87 MAPT (0.63) PDE7AMAPTLMNABCL2L1POLB
SCHEMBL10650251 0.87 MAPT (0.79) PDE7APDE7BMAPTLMNABCL2L1
SCHEMBL18779432 0.86 ALDH1A1 (0.74) PDE7AMAPTLMNABCL2L1POLB
SCHEMBL1923978 0.86 BCL2L1 (0.74) PDE7APDE7BMAPTLMNABCL2L1
SCHEMBL18779457 0.86 ALDH1A1 (0.64) PDE7AMAPTLMNABCL2L1POLB
SCHEMBL28563150 0.85 POLB (0.80) PDE7APDE7BMAPTLMNABCL2L1
SCHEMBL1455665 0.84 PDE7A (0.59) PDE7APDE7BMAPTLMNAPOLB
SCHEMBL19048781 0.84 MAPT (0.62) PDE7APDE7BMAPTLMNABCL2L1
SCHEMBL19041455 0.81 GSTP1 (0.59) PDE7APDE7BMAPTLMNABCL2L1
SCHEMBL2018194 0.81 ALDH1A1 (0.67) PDE7AMAPTLMNABCL2L1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885

“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.