SCHEMBL2960424

SCHEMBL2960424

Cc1ccc(Sc2ccccc2F)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A3 Q01959 1/20 0.61
TXNRD1 Q16881 1/20 0.49
TXNRD3 Q86VQ6 1/20 0.49
TXNRD2 Q9NNW7 1/20 0.49
TSHR P16473 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 7/20 0.48
LMNA P02545 5/20 0.48
PDE7A Q13946 6/20 0.48
PDE7B Q9NP56 2/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1342485 0.82 PDE7A (0.64) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL2964985 0.82 PDE7A (0.70) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL4706984 0.82 SLC6A2 (0.64) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL28503304 0.82 MAPT (0.56) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL810289 0.80 PDE7A (0.68) SLC6A4SLC6A2SLC6A3TSHRCYP3A4
SCHEMBL1645266 0.80 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL1645181 0.79 SLC6A4 (0.75) SLC6A4SLC6A2SLC6A3TSHRMAPT
SCHEMBL29989931 0.79 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL16157184 0.79 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3
SCHEMBL810705 0.78 PDE7A (0.65) SLC6A4SLC6A2SLC6A3TXNRD1TXNRD3

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 SLC6A4 4037/4885SLC6A2 4033/4885SLC6A3 3970/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SLC6A4 4037/4885SLC6A2 4033/4885SLC6A3 3970/4885

“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.