SCHEMBL2954763

SCHEMBL2954763

CC(=O)Nc1cc(F)c(Sc2ccc(C)cc2[N+](=O)[O-])c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
THRB P10828 1/20 0.44
ALDH1A1 P00352 9/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2969105 0.88 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3THRBALDH1A1
SCHEMBL810531 0.81 MAPT (0.56) SLC6A2SLC6A4SLC6A3THRBALDH1A1
SCHEMBL2968488 0.80 HDAC1 (0.41) SLC6A2SLC6A4SLC6A3THRBALDH1A1
SCHEMBL2963623 0.79 MAPT (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL2960602 0.76 PDE7A (0.65) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL2333062 0.72 HTT (0.61) ALDH1A1GAAMAPTTDP1MEN1
SCHEMBL2960424 0.71 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3ALDH1A1MAPT
SCHEMBL1532370 0.70 MAPT (0.66) ALDH1A1GAAMAPTTDP1KMT2A
SCHEMBL2960875 0.70 MAPT (0.70) THRBALDH1A1GAAMAPTTDP1
SCHEMBL16387123 0.70 KMT2A (0.61) ALDH1A1GAAMAPTTDP1MEN1

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 8 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
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 SLC6A2 4033/4885SLC6A4 4037/4885SLC6A3 3970/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SLC6A2 4033/4885SLC6A4 4037/4885SLC6A3 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.