SCHEMBL1455231

SCHEMBL1455231

O=C(Nc1ncc(Br)s1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 3/20 0.63
▸ HTT P42858 2/20 0.56
▸ ALPL P05186 1/20 0.56
▸ LMNA P02545 1/20 0.55
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ MAPT P10636 3/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ VCAM1 P19320 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
SCHEMBL5835824 0.83 STAT3 (0.59) STAT3HTTALPLLMNAMEN1
SCHEMBL1454378 0.83 STAT3 (0.59) STAT3HTTALPLLMNAMEN1
SCHEMBL1455622 0.80 ALPL (0.59) HTTALPLLMNAMEN1KMT2A
SCHEMBL7126974 0.79 SMN1; SMN2 (0.57) STAT3HTTALPLLMNAMEN1
SCHEMBL1455838 0.79 MAPT (0.48) STAT3HTTLMNAMEN1KMT2A
SCHEMBL1454189 0.79 ALDH1A1 (0.67) HTTALPLLMNAKMT2AALDH1A1
SCHEMBL1454521 0.78 MAPT (0.67) HTTALPLLMNAMEN1KMT2A
SCHEMBL30892625 0.78 STAT3 (0.82) STAT3HTTLMNAMEN1KMT2A
SCHEMBL159312 0.78 STAT3 (0.82) STAT3HTTLMNAMEN1KMT2A
SCHEMBL29908282 0.77 STAT3 (1.00) STAT3HTTLMNAMEN1KMT2A

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
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
CN-101384591-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 — — CN disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 — — EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — US disclosed
WO-2007076034-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 (1 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-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 STAT3 305/4885HTT 472/4885ALPL 3289/4885

“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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