SCHEMBL2955716

SCHEMBL2955716

CC(=O)Nc1cccc(Sc2cc(C)cc([N+](=O)[O-])c2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ ALOX5 P09917 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ POLB P06746 3/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ DDX3X O00571 2/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2957229 0.86 KMT2A (0.54) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL7143990 0.85 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL13836493 0.80 ALDH1A1 (0.61) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL2968585 0.80 ALDH1A1 (0.55) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL28775114 0.80 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL2963623 0.77 MAPT (0.54) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL2960410 0.77 PDE7A (0.54) SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1248559 0.75 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2APOLBHTT
SCHEMBL9352334 0.75 SMN1; SMN2 (0.61) SMN1; SMN2ALOX5HSD17B10MEN1KMT2A
SCHEMBL13408629 0.75 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2APOLBHTT

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 6 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US 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 SMN1; SMN2 3135/4885ALOX5 2999/4885HSD17B10 1572/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 3135/4885ALOX5 2999/4885HSD17B10 1572/4885

“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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