SCHEMBL2957229

SCHEMBL2957229

CC(=O)Nc1ccc(Sc2cc(C)cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.54
▸ MEN1 O00255 8/20 0.54
▸ MAPT P10636 7/20 0.54
▸ HPGD P15428 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ PAX8 Q06710 1/20 0.53
▸ LMNA P02545 4/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 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
SCHEMBL2955716 0.86 SMN1; SMN2 (0.59) KMT2AMEN1MAPTSMN1; SMN2HTT
SCHEMBL3902453 0.84 KMT2A (0.73) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL28775114 0.83 SMN1; SMN2 (0.65) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL13408629 0.81 SMN1; SMN2 (0.51) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL9713851 0.79 PAX8 (0.53) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL9352334 0.78 SMN1; SMN2 (0.61) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL2968804 0.78 KMT2A (0.54) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL6937549 0.77 MEN1 (0.63) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL14384400 0.76 TDP1 (0.77) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL3959278 0.76 SMN1; SMN2 (0.64) KMT2AMEN1MAPTHPGDSMN1; SMN2

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 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885

“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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