SCHEMBL3384086

SCHEMBL3384086

COc1ccc(CN2CCCN(C(=O)C3CN(C(C)=O)c4ccccc4O3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
LTA4H P09960 2/20 0.52
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIRT3 Q9NTG7 1/20 0.48
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FAAH O00519 1/20 0.46
AIMP2 Q13155 1/20 0.46
DNMT1 P26358 1/20 0.45
CASP6 P55212 1/20 0.45
MCL1 Q07820 1/20 0.45
CASP8 Q14790 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE1B Q01064 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3351833 0.82 SIRT2 (0.54) SIRT2SIRT1LTA4HKMT2ATSHR
SCHEMBL3355694 0.76 FAAH (0.47) KDM4EGAAKMT2ATSHRALDH1A1
SCHEMBL3354460 0.74 AIMP2 (0.49) KMT2ATSHRAIMP2RAB9APOLB
SCHEMBL9256464 0.72 KMT2A (0.59) GAASMN1; SMN2KMT2ATSHRALDH1A1
SCHEMBL19049377 0.71 HRH3 (0.71) SMN1; SMN2KMT2AALDH1A1FAAHSIGMAR1
SCHEMBL3355843 0.70 CYP1A2 (0.53) SIRT1KDM4EKMT2ATSHRALDH1A1
SCHEMBL3355154 0.70 AIMP2 (0.48) KDM4EKMT2ATSHRAIMP2RAB9A
SCHEMBL3354393 0.70 RAB9A (0.47) KDM4EKMT2ATSHRAIMP2RAB9A
SCHEMBL1043090 0.69 SIGMAR1 (0.77) KDM4ESMN1; SMN2SIGMAR1PKMPOLB
SCHEMBL1045386 0.69 SIGMAR1 (0.77) KDM4ESMN1; SMN2SIGMAR1PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 SIRT2 2760/4885SIRT1 1521/4885LTA4H 235/4885

“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.