SCHEMBL6490677

SCHEMBL6490677

O=C(CCCl)c1ccno1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 4/20 0.41
CHRNA4 P43681 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
GFER P55789 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC3 O15379 2/20 0.35
ACE2 Q9BYF1 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL10072426 0.78
SCHEMBL9848137 0.77 CTNNB1 (0.54) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL9202965 0.77 KEAP1 (0.50) GAAALDH1A1LMNAMAPTKEAP1
SCHEMBL3217645 0.76
SCHEMBL193873 0.73
SCHEMBL27520450 0.72 KMT2A (0.47) KMT2AMEN1GAACHRNA4CHRNB2
SCHEMBL4658303 0.72 KEAP1 (0.38) KMT2AMEN1GAACHRNA4CHRNB2
SCHEMBL3742719 0.72 FFAR1 (0.46) HDAC1
Water SCHEMBL28000801 0.71
SCHEMBL112293 0.70

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-6887871-B2 Use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1263711-B1 NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-12-15 EP disclosed
US-20030158185-A1 Novel use of phenylheteroakylamine derivatives ASTRAZENECA AB (SE) 2003-08-21 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-20030158185-A1 Novel use of phenylheteroakylamine derivatives NOS1, XDH, NOS2 KMT2A 3267/4885MEN1 4489/4885GAA 273/4885

“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.