SCHEMBL16467904

SCHEMBL16467904

COc1ccc(OCCN(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAOB P27338 2/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
ADAMTS4 O75173 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL16467893 0.93 CHRNB2 (0.49) MAPTLMNACHRNB2CHRNA4KMT2A
SCHEMBL16467913 0.88 ALDH1A1 (0.48) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL16468172 0.88 CHRNB2 (0.50) MAPTCHRNB2CHRNA4KMT2AMEN1
SCHEMBL16468183 0.87 MAPT (0.45) MAPTLMNACHRNB2CHRNA4KMT2A
SCHEMBL16467855 0.87 CHRNB2 (0.49) MAPTCHRNB2CHRNA4KMT2AMEN1
SCHEMBL16467928 0.87 KMT2A (0.46) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL16468501 0.87 CHRNB2 (0.48) MAPTCHRNB2CHRNA4KMT2AMEN1
SCHEMBL16468165 0.87 CHRNB2 (0.48) MAPTLMNACHRNB2CHRNA4KMT2A
SCHEMBL16467889 0.83 HTT (0.43) MAPTLMNAKMT2AMEN1L3MBTL1
SCHEMBL16468152 0.80 KMT2A (0.48) MAPTLMNAKMT2AMEN1L3MBTL1

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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES ADAMED SP. ZO.O (PL) 2015-02-19 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-20150051257-A1 SULPHONAMIDE DERIVATIVES OF BENZYLAMINE FOR THE TREATMENT OF CNS DISEASES AQP4, BCL6, STS MAPT 1506/4885LMNA 3042/4885CHRNB2 469/4885

“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.