SCHEMBL2954774

SCHEMBL2954774

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.71
▸ ALDH1A1 P00352 5/20 0.61
▸ POLB P06746 2/20 0.61
▸ HPGD P15428 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ ABCC9 O60706 1/20 0.48
▸ ABCC8 Q09428 1/20 0.48
▸ KCNJ11 Q14654 1/20 0.48
▸ KCNJ8 Q15842 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ GAA P10253 2/20 0.47
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL2017427 0.83 PAX8 (0.52) THRBALDH1A1POLBMEN1KMT2A
SCHEMBL810531 0.83 MAPT (0.56) THRBALDH1A1HPGDL3MBTL1MEN1
SCHEMBL2961835 0.82 MAPT (0.52) THRBALDH1A1POLBMEN1KMT2A
SCHEMBL11253450 0.81 MAPT (0.59) THRBALDH1A1POLBHPGDL3MBTL1
SCHEMBL2965279 0.81 THRB (0.49) THRBALDH1A1POLBHPGDL3MBTL1
SCHEMBL10529862 0.80 MAPK1 (0.73) THRBALDH1A1POLBHPGDL3MBTL1
SCHEMBL2960875 0.79 MAPT (0.70) THRBALDH1A1POLBHPGDL3MBTL1
SCHEMBL11709219 0.79 MAPT (0.69) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL15598676 0.78 THRB (0.60) THRBALDH1A1POLBHPGDL3MBTL1
SCHEMBL1455640 0.78 MAPT (0.54) ALDH1A1POLBHPGDL3MBTL1MEN1

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 THRB 4833/4885ALDH1A1 2723/4885POLB 442/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 THRB 4833/4885ALDH1A1 2723/4885POLB 442/4885

“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.

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