SCHEMBL1454743

SCHEMBL1454743

O=C(Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ HTT P42858 1/20 0.67
▸ KMT2A Q03164 5/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ RORC P51449 1/20 0.62
▸ NPY1R P25929 1/20 0.62
▸ MC4R P32245 1/20 0.62
▸ NPY2R P49146 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ LMNA P02545 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.58
▸ RAB9A P51151 1/20 0.57
▸ PHGDH O43175 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ VCAM1 P19320 2/20 0.56
▸ MCL1 Q07820 1/20 0.56

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
SCHEMBL13401489 0.84 ALDH1A1 (0.72) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL8026664 0.82 MAPT (0.67) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL1455286 0.81 KMT2A (0.90) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL28092071 0.81 MAPT (0.67) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL1455800 0.79 KMT2A (0.73) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL1454747 0.79 MEN1 (0.68) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL16583412 0.78 RORC (0.57) MAPTHTTKMT2AMEN1RORC
SCHEMBL3619864 0.78 MAPT (0.61) MAPTALDH1A1HTTKMT2AMEN1
SCHEMBL10219496 0.78 NPC1 (0.63) MAPTALDH1A1KMT2AMEN1RAB9A
SCHEMBL5835017 0.77 ALDH1A1 (0.70) MAPTALDH1A1HTTKMT2AMEN1

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 MAPT 1347/4885ALDH1A1 2723/4885HTT 472/4885

“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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