SCHEMBL2960875

SCHEMBL2960875

CC(=O)Nc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ GAA P10253 1/20 0.59
▸ HTT P42858 4/20 0.58
▸ PDE7A Q13946 2/20 0.57
▸ PDE7B Q9NP56 1/20 0.57
▸ MEN1 O00255 5/20 0.56
▸ KMT2A Q03164 5/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ABCC9 O60706 1/20 0.56
▸ ABCC8 Q09428 1/20 0.56
▸ KCNJ11 Q14654 1/20 0.56
▸ KCNJ8 Q15842 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.53
▸ NPC1 O15118 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RAB9A P51151 1/20 0.50

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
SCHEMBL810531 0.83 MAPT (0.56) MAPTSMN1; SMN2HTTPDE7AMEN1
SCHEMBL2017427 0.83 PAX8 (0.52) MAPTSMN1; SMN2GAAHTTPDE7A
SCHEMBL2963623 0.83 MAPT (0.54) MAPTSMN1; SMN2GAAHTTPDE7A
SCHEMBL2961835 0.82 MAPT (0.52) MAPTSMN1; SMN2GAAHTTPDE7A
SCHEMBL8923011 0.82 HTT (0.62) MAPTSMN1; SMN2GAAHTTMEN1
SCHEMBL11957602 0.81 MAPT (0.58) MAPTSMN1; SMN2GAAHTTPDE7A
SCHEMBL2954774 0.79 THRB (0.71) MAPTSMN1; SMN2GAAHTTPDE7A
SCHEMBL1455374 0.79 MAPT (0.56) MAPTSMN1; SMN2GAAHTTPDE7A
SCHEMBL18261765 0.79 THRB (0.61) MAPTSMN1; SMN2GAAHTTMEN1
SCHEMBL28729790 0.78 HTT (0.58) MAPTSMN1; SMN2GAAHTTPDE7A

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
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 MAPT 1347/4885SMN1; SMN2 3135/4885GAA 504/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885SMN1; SMN2 3135/4885GAA 504/4885

“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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