Sugi Predict

Sugi Predict / Compounds / SCHEMBL5639490

SCHEMBL5639490

SCHEMBL5639490

CC(Cn1ncc2ccc(O)c(NC(=O)CCl)c21)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.46
▸ HTR2C P28335 8/20 0.46
▸ HTR2B P41595 6/20 0.46
▸ ALDH1A1 P00352 7/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ LMNA P02545 4/20 0.40
▸ HTT P42858 4/20 0.40
▸ KMO O15229 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MAPK1 P28482 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HTR1D P28221 1/20 0.34

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
SCHEMBL4948409 0.82 HTR2A (0.48) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5637628 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5843663 0.81 HTR2C (0.53) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5843328 0.81 HTR2A (0.50) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL4950336 0.81 HTR2A (0.49) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5638272 0.78 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL5638269 0.78 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL5845487 0.78 HTR2A (0.46) HTR2AHTR2CHTR2BALDH1A1SMN1; SMN2
SCHEMBL5638324 0.75 HTR2A (0.44) HTR2AHTR2CHTR2BKMOMAPK1
SCHEMBL5636655 0.74 HTR2A (0.64) HTR2AHTR2CHTR2BKMOHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7268131-B2 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2007-09-11 — — US disclosed
US-6989445-B2 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. (CH) 2006-01-24 — — US disclosed
US-20050277636-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma DANTANARAYANA ANURA P 2005-12-15 — — US disclosed
WO-2005058911-A2 SUBSTITUTED [1,4]OXAZINO[2,3-G]INDAZOLES FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2005-06-30 — — WO disclosed
US-20050130960-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma ALCON, INC. 2005-06-16 — — 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 (2 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-20050277636-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma PTGIS, PTGS1, PTGIR HTR2A 881/4885HTR2C 477/4885HTR2B 1198/4885
US-20050130960-A1 Substituted [1,4]oxazino[2,3-g]indazoles for the treatment of glaucoma PTGIS, PTGS1, PTGIR HTR2A 881/4885HTR2C 477/4885HTR2B 1198/4885

“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.