Sugi Predict

Sugi Predict / Compounds / SCHEMBL3354429

SCHEMBL3354429

SCHEMBL3354429

COc1ccc(-c2cc3c(cc2Cl)NCC(C(=O)N2CCC(C#N)(Cc4ccc(F)cc4)CC2)O3)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ MTOR P42345 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ RET P07949 3/20 0.33
▸ OXTR P30559 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ AVPR1A P37288 1/20 0.33
▸ TBK1 Q9UHD2 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ OTUD7B Q6GQQ9 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PIK3CB P42338 1/20 0.32

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
SCHEMBL3356144 0.91 ALDH1A1 (0.38) ALDH1A1PRKAG1PRKAA1PRKAB1OTUD7B
SCHEMBL3355975 0.88 CYP46A1 (0.37) ALDH1A1
SCHEMBL3351431 0.87 ALDH1A1 (0.34) ALDH1A1
SCHEMBL3359143 0.87 ALDH1A1 (0.35) ALDH1A1
SCHEMBL3355830 0.87 GPR6 (0.37) ALDH1A1TBK1
SCHEMBL3355662 0.87 MC4R (0.41) ALDH1A1RETUSP30
SCHEMBL3355429 0.87 ALDH1A1 (0.35) ALDH1A1TNKS2
SCHEMBL3352890 0.87 ALDH1A1 (0.36) ALDH1A1MTORKITHCRTR1HCRTR2
SCHEMBL3354939 0.86 CCR1 (0.37) ALDH1A1TNKS2
SCHEMBL3353515 0.85 ALDH1A1 (0.38) ALDH1A1

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
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 claimed
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
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 ALDH1A1 903/4885MTOR 4843/4885KIT 1414/4885

“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.