SCHEMBL4995871

SCHEMBL4995871

O=C(Cc1ccc(F)cc1)Nc1ccc(NCc2ccc(Cl)s2)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
RECQL P46063 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
FFAR1 O14842 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL30794410 0.86 CA12 (0.53) MAPK1ALDH1A1MAPTFFAR1CA12
SCHEMBL2069253 0.86 CA12 (0.53) MAPK1ALDH1A1MAPTFFAR1CA12
SCHEMBL3090964 0.84 HDAC1 (0.53) MAPK1ALDH1A1MAPTFFAR1CA12
SCHEMBL30795428 0.84 FFAR1 (0.47) MAPK1ALDH1A1MAPTFFAR1CA12
SCHEMBL30794887 0.84 HDAC1 (0.53) MAPK1ALDH1A1MAPTFFAR1CA12
SCHEMBL2070807 0.84 FFAR1 (0.47) MAPK1ALDH1A1MAPTFFAR1CA12
SCHEMBL4998440 0.82 FFAR1 (0.41) MAPK1ALDH1A1MAPTFFAR1MEN1
SCHEMBL2069764 0.78 MEN1 (0.53) LMNAALDH1A1MAPTFFAR1CA12
SCHEMBL30795966 0.78 MEN1 (0.53) LMNAALDH1A1MAPTFFAR1CA12
SCHEMBL2070580 0.78 ALDH1A1 (0.44) MAPK1ALDH1A1MAPTFFAR1CA12

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
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
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 LMNA 3584/4885RECQL 1266/4885MAPK1 2139/4885

“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.