SCHEMBL1455622

SCHEMBL1455622

O=C(Nc1ncc(Br)cn1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ LMNA P02545 2/20 0.58
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ PKM P14618 1/20 0.56
▸ VCAM1 P19320 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ MCL1 Q07820 1/20 0.52

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
SCHEMBL1454521 0.85 MAPT (0.67) ALPLHTTLMNAKMT2AMEN1
SCHEMBL1455196 0.81 KMT2A (0.73) ALPLHTTLMNAKMT2AMEN1
SCHEMBL1455231 0.80 STAT3 (0.63) ALPLHTTLMNAKMT2AMEN1
SCHEMBL27967569 0.78 VCAM1 (0.70) ALPLHTTLMNAKMT2AMEN1
SCHEMBL7128305 0.78 SMN1; SMN2 (0.61) ALPLHTTLMNAKMT2AMEN1
SCHEMBL1455478 0.78 MEN1 (0.68) HTTLMNAKMT2AMEN1ALDH1A1
SCHEMBL1455153 0.78 LMNA (0.64) ALPLHTTLMNAKMT2AMEN1
SCHEMBL27942800 0.75 KMT2A (0.72) HTTLMNAKMT2AMEN1ALDH1A1
SCHEMBL1455286 0.75 KMT2A (0.90) HTTLMNAKMT2AMEN1ALDH1A1
SCHEMBL13399604 0.75 AKR1C2 (0.76) HTTLMNAKMT2AMEN1ALDH1A1

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 5 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
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 ALPL 3289/4885HTT 472/4885LMNA 3252/4885

“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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