SCHEMBL2960602

SCHEMBL2960602

CC(=O)Nc1ccccc1Sc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.65
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
MAPT P10636 4/20 0.54
KDM4E B2RXH2 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
POLB P06746 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNMA1 Q12791 1/20 0.47
HTT P42858 1/20 0.46
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL17777979 0.81 KMT2A (0.57) PDE7ASLC6A4MAPTKDM4EL3MBTL1
SCHEMBL2961391 0.79 SLC6A4 (0.52) PDE7ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL4706984 0.79 SLC6A2 (0.64) PDE7ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL810531 0.79 MAPT (0.56) PDE7ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2963623 0.78 MAPT (0.54) PDE7ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL2969105 0.78 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MAPTNPSR1
SCHEMBL1645181 0.78 SLC6A4 (0.75) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL1532370 0.78 MAPT (0.66) MAPTNPSR1POLBKCNMA1HTT
SCHEMBL1645802 0.78 SLC6A4 (1.00) SLC6A2SLC6A4SLC6A3MAPTKDM4E
SCHEMBL10431594 0.78 ALDH1A1 (0.59) PDE7AMAPTKDM4EPOLBL3MBTL1

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 4223/4885SLC6A2 4033/4885SLC6A4 4037/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885SLC6A2 4033/4885SLC6A4 4037/4885

“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.