Sugi Predict

Sugi Predict / Compounds / SCHEMBL3355355

SCHEMBL3355355

SCHEMBL3355355

COc1cc2c(cc1Cl)NCC(C(=O)N1CCC(CO)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ CCR1 P32246 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 3/20 0.37
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SHMT2 P34897 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
SCHEMBL13330864 0.89 ALDH1A1 (0.39) KMT2AMEN1CCR1LMNAL3MBTL1
SCHEMBL3354931 0.87 CYP19A1 (0.35) CCR1LMNAPOLBSHMT2
SCHEMBL3354939 0.87 CCR1 (0.37) KMT2ACCR1LMNAL3MBTL1ALDH1A1
SCHEMBL3356292 0.87 KMT2A (0.39) KMT2AMEN1LMNAATML3MBTL1
SCHEMBL3356896 0.86 ALDH1A1 (0.51) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL3353168 0.84 CCR1 (0.35) KMT2ACCR1LMNAALDH1A1KDM4E
SCHEMBL3356066 0.80 ALDH1A1 (0.35) KMT2AMEN1LMNAL3MBTL1POLB
SCHEMBL3356313 0.80 MEN1 (0.36) KMT2AMEN1CCR1LMNAATM
SCHEMBL3355545 0.79 L3MBTL1 (0.33) KMT2AMEN1ATML3MBTL1ALDH1A1
SCHEMBL3351152 0.79 MGLL (0.34) L3MBTL1ALDH1A1

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 7 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
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO claimed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 — — US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 — — 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 KMT2A 3495/4885MEN1 4595/4885CCR1 1/4885

“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.