SCHEMBL2964985

SCHEMBL2964985

Cc1ccc(Sc2ccccc2N)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 8/20 0.70
SMN1; SMN2 Q16637 1/20 0.69
MAPT P10636 4/20 0.67
POLB P06746 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 3/20 0.65
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 2/20 0.57
TSHR P16473 2/20 0.57
ITGB2 P05107 1/20 0.51
ICAM1 P05362 1/20 0.51
ITGAL P20701 1/20 0.51
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TXNRD1 Q16881 1/20 0.49

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
SCHEMBL1455439 0.85 PDE7A (0.74) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL8095611 0.82 PDE7A (1.00) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL7607819 0.82 PDE7A (1.00) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL19745705 0.82 PDE7A (0.70) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL2960424 0.82 SLC6A4 (0.61) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL4706984 0.82 SLC6A2 (0.64) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL19939637 0.81 TXNRD1 (0.69) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL810289 0.80 PDE7A (0.68) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL1645266 0.80 SLC6A4 (0.55) PDE7ASMN1; SMN2MAPTPOLBL3MBTL1
SCHEMBL1645181 0.79 SLC6A4 (0.75) MAPTPOLBL3MBTL1LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
CN-102702194-A Anti-viral compounds ABBOTT LAB 2012-10-03 CN disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885SMN1; SMN2 3135/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885SMN1; SMN2 3135/4885MAPT 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.