SCHEMBL6803901

SCHEMBL6803901

O=[N+]([O-])c1ccc2c(c1)CCN2CCc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 2/20 0.40
LMNA P02545 1/20 0.40
ROCK1 Q13464 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 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
SCHEMBL6801884 0.91 ROCK1 (0.47) ALDH1A1RAB9ANPC1MAPK1POLB
SCHEMBL6806299 0.88 ALDH1A1 (0.49) ALDH1A1RAB9ANPC1MAPK1MAPT
SCHEMBL6493156 0.81 GRIN1 (0.49) ALDH1A1MAPK1MAPTPOLBGRIN1
SCHEMBL6636318 0.80 HRH1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6635124 0.79 MEN1 (0.49) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL29374038 0.79 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL6501814 0.78 HTR2C (0.53) ALDH1A1RAB9ANPC1MAPTPOLB
SCHEMBL30376197 0.77 PARP10 (0.43) ALDH1A1MAPTPOLBKDM4EMEN1
SCHEMBL27476416 0.77 MAPT (0.48) ALDH1A1RAB9ANPC1MAPK1MAPT
SCHEMBL5678082 0.76 LMNA (0.53) ALDH1A1RAB9ANPC1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 ALDH1A1 2901/4885RAB9A 4004/4885NPC1 40/4885

“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.