SCHEMBL3335231

SCHEMBL3335231

O=C(O)CC1(CNC(=O)Oc2ccc([N+](=O)[O-])cc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.50
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.43
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HTR2A P28223 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL15713061 0.81 THRB (0.45) MGLLTHRBTP53BCL9CTNNB1
SCHEMBL4434133 0.80 MGLL (0.44) MGLLTHRBTP53FAAHTRPV1
SCHEMBL4433141 0.78 MGLL (0.52) MGLLTHRBTP53FAAHTRPV1
SCHEMBL25381206 0.78 MGLL (0.56) MGLLTHRBTP53FAAHTRPV1
SCHEMBL3111043 0.77 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL12160221 0.75 FAAH (0.46) FAAHTRPV1ALDH1A1KDM4ERAB9A
SCHEMBL31414907 0.75 MGLL (0.56) MGLLTHRBFAAHTRPV1BCL9
SCHEMBL31414904 0.75 MGLL (0.53) MGLLTHRBTP53FAAHTRPV1
SCHEMBL22370754 0.74 MGLL (0.47) MGLLTHRBTP53FAAHTRPV1
SCHEMBL18703462 0.74 MGLL (0.78) MGLLFAAHTRPV1BCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100145057-A1 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2010-06-10 US disclosed
US-20100145057-A1 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2010-06-10 US disclosed
US-20100145057-A1 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2010-06-10 US disclosed
EP-2118052-A2 NOVEL PRODRUGS Sun Pharma Advanced Research Company Ltd (IN) 2009-11-18 EP disclosed
WO-2008111096-A2 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2008-09-18 WO disclosed
WO-2008111096-A2 NOVEL PRODRUGS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2008-09-18 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-20100145057-A1 NOVEL PRODRUGS UGT2B7, UGT1A1, UGT1A6 MGLL 1615/4885THRB 1673/4885TP53 2178/4885

“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.