SCHEMBL6203012

SCHEMBL6203012

N#CCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.60
MAPT P10636 6/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 6/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CASP7 P55210 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
IDO1 P14902 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL6198859 0.84 KAT2B (0.80) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10961239 0.83 KMT2A (0.56) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL27708810 0.83 KAT2B (0.59) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6200169 0.81 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7170020 0.81 KAT2B (0.81) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10803094 0.80 KAT2B (0.56) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6198359 0.80 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8720672 0.80 KAT2B (0.78) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11975680 0.79 KAT2B (0.64) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL31473868 0.79 KAT2B (0.43) KAT2BMAPTRAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-8673898-B2 Aminodiazepines as toll-like receptor modulators ARRAY BIOPHARMA INC. (US) 2014-03-18 US disclosed
US-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA INC. (US) 2012-08-16 US disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 EP disclosed
WO-2004108723-A1 4,5-DIHYDRO-IMIDAZO[4,5,1-II]QUINOLIN-6-ONES AS PARP INHIBITORS ALTANA PHARMA AG (DE) 2004-12-16 WO disclosed
WO-2003103666-A2 NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES ALTANA PHARMA AG (DE) 2003-12-18 WO disclosed
WO-2003051879-A1 KNOWN AND NOVEL 4,5-DIHYDRO-IMIDAZO[4,5,1-IJ]QUINOLIN-6-ONES USEFUL AS POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ALTANA PHARMA AG (DE) 2003-06-26 WO disclosed
US-6548494-B1 3,4-dihydro-2H-(1,4)diazepino(6,7,1-hi)indol-1-one or 1-thione derivatives where indole C3 could also be N; use treating cancers as well as stroke, head trauma, and neurodegenerative diseases AGOURON PHARMACEUTICALS, INC. 2003-04-15 US disclosed
CN-1384835-A Tricycle inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMA (US) 2002-12-11 CN disclosed
EP-1208104-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2002-05-29 EP disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 WO disclosed
US-4009994-A Process and product of optical brightening with quaternized benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1977-03-01 US disclosed
US-3940417-A Quaternised benzofuranyl-benzimidazoles CIBA-GEIGY CORPORATION (US) 1976-02-24 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-20120208801-A1 Aminodiazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR5 KAT2B 4034/4885MAPT 2744/4885NPC1 4606/4885

“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.