Sugi Predict

Sugi Predict / Compounds / SCHEMBL3355429

SCHEMBL3355429

SCHEMBL3355429

COc1ccccc1-c1cc2c(cc1Cl)NCC(C(=O)N1CCC(C#N)(Cc3ccc(F)cc3)CC1)O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ HTR2A P28223 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR1B P28222 2/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR1E P28566 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HTR5A P47898 2/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 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
SCHEMBL3354939 0.91 CCR1 (0.37) ALDH1A1CTSSCTSKHTR2AHTR2C
SCHEMBL3355830 0.90 GPR6 (0.37) ALDH1A1HTR1AL3MBTL1
SCHEMBL3353168 0.90 CCR1 (0.35) ALDH1A1CTSSCTSKHTR2AHTR2C
SCHEMBL3353515 0.87 ALDH1A1 (0.38) ALDH1A1HSD11B1L3MBTL1AIMP2
SCHEMBL3354429 0.87 ALDH1A1 (0.36) ALDH1A1TNKS2
SCHEMBL3352935 0.86 ALDH1A1 (0.39) ALDH1A1
SCHEMBL3355704 0.85 ALDH1A1 (0.35) ALDH1A1HTR1AKDM4E
SCHEMBL3352890 0.85 ALDH1A1 (0.36) ALDH1A1HTR2AHTR2CKDM4EL3MBTL1
SCHEMBL3356066 0.85 ALDH1A1 (0.35) ALDH1A1HTR1AHTR2CHTR2BKMT2A
SCHEMBL3355975 0.85 CYP46A1 (0.37) ALDH1A1KDM4EGAA

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 ALDH1A1 903/4885CTSS 2576/4885CTSK 2465/4885

“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.