SCHEMBL1775240

SCHEMBL1775240

O=C(O)N1CC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.40
CTSB P07858 3/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.38
SCD O00767 1/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
NPBWR1 P48145 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HMOX1 P09601 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL1775972 1.00 AR (0.40) ARCTSBGAAHTTSCD
SCHEMBL1775998 1.00 AR (0.40) ARCTSBGAAHTTSCD
SCHEMBL1776107 0.93 AR (0.42) ARCTSBGAAHTTSCD
SCHEMBL1775041 0.85 PDE4B (0.46) ALDH1A1MAPT
SCHEMBL1775056 0.85 PDE4B (0.46) ALDH1A1MAPT
SCHEMBL12601554 0.83 NOS3 (0.52) ARCTSBGAASCDNOS3
SCHEMBL1775717 0.81 NOS3 (0.44) KMT2ASMN1; SMN2MCHR1NOS3NOS1
SCHEMBL1775265 0.81 NOS3 (0.44) KMT2ASMN1; SMN2MCHR1NOS3NOS1
SCHEMBL1776683 0.81 NOS3 (0.44) KMT2ASMN1; SMN2MCHR1NOS3NOS1
SCHEMBL5105934 0.79 KDM4E (0.45) GAAPOLBKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943639-B2 Such as 6-benzenesulfonyl-4-piperazin-1-yl-quinoline hydrochloride; for treatment of central nervous system and/or 5- HT6 receptor related disorders; for weight gain/loss PROXIMAGEN LIMITED (GB) 2011-05-17 US disclosed
EP-1513828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040024210-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-05 US disclosed
WO-2004000828-A1 NEW COMPOUNDS USEFUL FOR THE TREATMENT OF OBESITY, TYPE II DIABETES AND CNS DISORDERS BIOVITRUM AB (SE) 2003-12-31 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-20040024210-A1 New compounds SULT1E1, SULT2A1, SULT1A1 AR 2457/4885CTSB 1005/4885GAA 261/4885

“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.