SCHEMBL4998440

SCHEMBL4998440

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL30795826 0.85 FFAR1 (0.46) FFAR1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL2070719 0.85 FFAR1 (0.46) FFAR1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL30795486 0.83 FFAR1 (0.44) FFAR1SMN1; SMN2HTTMAPTNPC1
SCHEMBL3112428 0.83 FFAR1 (0.44) FFAR1SMN1; SMN2HTTMAPTNPC1
SCHEMBL4995871 0.82 LMNA (0.45) FFAR1MEN1KMT2APKMHTT
SCHEMBL30814210 0.74 MAPK1 (0.38) PKMHTTMAPTALDH1A1MAPK1
SCHEMBL3109667 0.74 MAPK1 (0.38) PKMHTTMAPTALDH1A1MAPK1
SCHEMBL4993177 0.73 HTT (0.47) MEN1KMT2ASMN1; SMN2PKMHTT
SCHEMBL4996561 0.72 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HTTALDH1A1
SCHEMBL2070657 0.72 FFAR1 (0.47) FFAR1HTTMAPT

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 3 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

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 FFAR1 2339/4885MEN1 1105/4885KMT2A 2295/4885

“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.