SCHEMBL4992000

SCHEMBL4992000

Nc1ccc(NC(=O)Cc2ccc(F)cc2)c([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
CA12 O43570 4/20 0.54
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA9 Q16790 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 3/20 0.51
PKM P14618 2/20 0.51
LMNA P02545 3/20 0.48
RECQL P46063 1/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL2072047 0.79 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL2070328 0.79 CA12 (0.55) MAPK1CA12CA1CA2CA9
SCHEMBL31675009 0.78 LMNA (0.60) MAPK1CA12CA1CA2CA9
SCHEMBL4991886 0.77 LMNA (0.53) MAPK1CA12CA1CA2CA9
SCHEMBL4996561 0.75 MEN1 (0.46) MAPK1ALDH1A1L3MBTL1RECQLTDP1
SCHEMBL2071340 0.75 L3MBTL1 (0.81) MAPTALDH1A1L3MBTL1LMNATDP1
SCHEMBL2072127 0.75 LMNA (0.60) CA12CA1CA2CA9MAPT
SCHEMBL4995871 0.74 LMNA (0.45) MAPK1CA12CA1CA2CA9
SCHEMBL5163517 0.74 MAPT (0.64) MAPK1MAPTALDH1A1L3MBTL1PKM
SCHEMBL5798864 0.74 ALDH1A1 (0.45) MAPK1CA12CA1CA2CA9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100448867-C 1,2,4-triaminobenzenderivater nyttige for behandling AV forstyrrelser i sentralnervesystemet LUNDBECK & CO AS H (DK) 2009-01-07 CN disclosed
US-7368472-B2 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2008-05-06 US disclosed
EP-1578740-B1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM LUNDBECK & CO AS H (DK) 2007-03-21 EP disclosed
CN-1732162-A 1,2,4-triaminobenzenderivater nyttige for behandling AV forstyrrelser i sentralnervesystemet LUNDBECK & CO AS H (DK) 2006-02-08 CN disclosed
US-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system H. LUNDBECK A/S (DK) 2006-01-19 US disclosed
EP-1578740-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. Lundbeck A/S (DK) 2005-09-28 EP disclosed
WO-2004058739-A1 1,2,4-TRIAMINOBENZENE DERIVATIVES USEFUL FOR TREATING DISORDERS OF THE CENTRAL NERVOUS SYSTEM H. LUNDBECK A/S (DK) 2004-07-15 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-20060014822-A1 1,2,4-Triaminobenzene derivatives useful for treating disorders of the central nervous system PMP22, GRIN2B, AVPR1B MAPK1 2139/4885CA12 1724/4885CA1 1198/4885

“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.