Sugi Predict

Sugi Predict / Compounds / SCHEMBL4062126

SCHEMBL4062126

SCHEMBL4062126

CC(C)(C)OC(=O)NCc1ccc(CN(C2CCc3cccnc3C2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ NPY5R Q15761 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ NPY1R P25929 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NTSR1 P30989 1/20 0.35
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35

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
SCHEMBL27529332 0.87 ALDH1A1 (0.37) MAPTALDH1A1LMNANPY5RKMT2A
SCHEMBL4061273 0.84 ITGB1 (0.38) MAPTALDH1A1LMNANAMPTNPY5R
SCHEMBL4063313 0.83 MEN1 (0.41) MAPTALDH1A1NPY5RKMT2AMEN1
SCHEMBL27529328 0.83 MEN1 (0.36) MAPTALDH1A1LMNANPY5RKMT2A
SCHEMBL18052430 0.77 KMT2A (0.63) MAPTLMNANAMPTKMT2AMEN1
SCHEMBL4070370 0.73 NAMPT (0.46) MAPTNAMPTKMT2AMEN1DRD2
SCHEMBL3311009 0.72 KCNA5 (0.40) MAPTLMNANPY5RKMT2AMEN1
SCHEMBL18052431 0.71 LMNA (0.62) MAPTALDH1A1LMNANAMPTNPY5R
SCHEMBL4072938 0.71 BRD4 (0.40) NAMPTKMT2AMEN1L3MBTL1
SCHEMBL3312985 0.70 CXCR4 (0.48) —

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
EP-1317443-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-01-14 — — EP disclosed
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS GENZYME CORPORATION 2008-04-17 — — US disclosed
US-7312234-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2007-12-25 — — US disclosed
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2005-02-03 — — US disclosed
US-6835731-B2 Viricides; antiinflammatory agents; antiallergens; antiarthritic agents ANORMED, INC. (CA) 2004-12-28 — — US disclosed
US-20020147192-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2002-10-10 — — 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 (3 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-20020147192-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 MAPT 4454/4885ALDH1A1 1950/4885LMNA 4848/4885
US-20080090846-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CCR2, CXCR3, ACKR3 MAPT 4454/4885ALDH1A1 1950/4885LMNA 4848/4885
US-20050026942-A1 Chemokine receptor binding heterocyclic compounds CCR2, CXCR3, ACKR3 MAPT 4454/4885ALDH1A1 1950/4885LMNA 4848/4885

“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.