SCHEMBL4408708

SCHEMBL4408708

O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.44
CTNNB1 P35222 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MGLL Q99685 1/20 0.40
FAAH O00519 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
HTR2A P28223 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9679112 0.75 ALDH1A1 (0.45) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL20377184 0.74 SMN1; SMN2 (0.64) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL6322393 0.74 SMN1; SMN2 (0.64) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL3176066 0.74 GAA (0.61) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL6858793 0.73 GAA (0.56) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL8816649 0.72 ALDH1A1 (0.52) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL28989406 0.72 MGLL (0.58) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
Malonic Acid SCHEMBL3800103 0.72 BCL9 (0.55) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL17236217 0.71 BCL9 (0.59) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA
SCHEMBL26374 0.71 GAA (0.65) BCL9CTNNB1SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2033661-A1 Methods of screening affinity marker libraries ConjuChem Biotechnologies Inc. (CA) 2009-03-11 EP disclosed
EP-1199566-B1 Methods of screening affinity marker libraries CONJUCHEM BIOTECHNOLOGIES INC (CA) 2008-08-27 EP disclosed
US-7166695-B2 Affinity markers for human serum albumin CONJUCHEM BIOTECHNOLOGIES INC. (CA) 2007-01-23 US disclosed
US-20050037974-A1 Affinity markers for human serum albumin CONJUCHEM, INC. (CA) 2005-02-17 US disclosed
EP-1056474-B1 AFFINITY MARKERS FOR HUMAN SERUM ALBUMIN CONJUCHEM INC (CA) 2002-06-12 EP disclosed
EP-1199566-A1 Methods of screening affinity marker libraries Conjuchem, Inc. (CA) 2002-04-24 EP disclosed
EP-1056474-A2 AFFINITY MARKERS FOR HUMAN SERUM ALBUMIN ConjuChem, Inc. (CA) 2000-12-06 EP disclosed
WO-1999024075-A2 AFFINITY MARKERS FOR HUMAN SERUM ALBUMIN CONJUCHEM, INC. (CA) 1999-05-20 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-20050037974-A1 Affinity markers for human serum albumin ALB, FABP1, FCGR2A BCL9 1244/4885CTNNB1 2337/4885SMN1; SMN2 4490/4885

“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.