SCHEMBL5001003

SCHEMBL5001003

CCCOC(=O)Nc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.61
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
KMT2A Q03164 5/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 2/20 0.48
PKM P14618 2/20 0.45
ALDH1A1 P00352 5/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 1/20 0.44
RECQL P46063 2/20 0.43

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
SCHEMBL4993342 0.90 KMT2A (0.56) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL21059154 0.81 KMT2A (0.67) SMN1; SMN2NPC1RAB9ACYP1A2KMT2A
SCHEMBL2069726 0.80 SMN1; SMN2 (0.59) SMN1; SMN2CYP1A2CYP2C9KMT2AMAPK1
SCHEMBL2072317 0.80 MEN1 (0.53) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL14740824 0.79 KMT2A (0.45) SMN1; SMN2NPC1RAB9AKMT2AMAPK1
SCHEMBL2069454 0.79 MEN1 (0.52) SMN1; SMN2CYP1A2CYP2C9KMT2ATP53
SCHEMBL2069555 0.79 MEN1 (0.52) SMN1; SMN2CYP1A2CYP2C9KMT2AMAPK1
SCHEMBL5163517 0.78 MAPT (0.64) SMN1; SMN2NPC1KMT2AMAPK1MAPT
SCHEMBL30485017 0.78 PKM (0.57) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9
SCHEMBL16654381 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP1A2CYP2C9

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 SMN1; SMN2 81/4885NPC1 324/4885RAB9A 2659/4885

“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.