Sugi Predict

Sugi Predict / Compounds / SCHEMBL1249999

SCHEMBL1249999

SCHEMBL1249999

FCCOCCOc1cccc(-c2cc(-c3ccc(F)nc3)n[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.38
▸ MAPT P10636 5/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NFKB1 P19838 2/20 0.37
▸ NFKB2 Q00653 2/20 0.37
▸ RELA Q04206 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 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
SCHEMBL1608378 0.93 HPGDS (0.41) HPGDSMAPTALOX15SMN1; SMN2NFKB1
SCHEMBL1251961 0.82 APP (0.47) MAPTMAPK1GAARAB9APOLB
SCHEMBL1608106 0.82 APP (0.47) MAPTMAPK1GAARAB9APOLB
SCHEMBL1608066 0.82 APP (0.47) MAPTMAPK1GAARAB9APOLB
SCHEMBL1251522 0.77 MAPT (0.41) HPGDSMAPTALOX15SMN1; SMN2MAPK1
SCHEMBL1250391 0.75 APP (0.52) MAPTMAPK1TP53GAARAB9A
SCHEMBL1608466 0.75 APP (0.52) MAPTMAPK1GAARAB9APOLB
SCHEMBL7995876 0.74 SNCA (0.62) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL1608081 0.74 PRMT5 (0.40) MAPTALOX15SMN1; SMN2NFKB1NFKB2
SCHEMBL1251074 0.74 CYP1A2 (0.44) HPGDSMAPTMAPK1TP53GAA

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
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 — — US claimed
EP-2285789-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES Merck Sharp & Dohme Corp. (US) 2011-02-23 — — EP claimed
WO-2009146343-A1 NOVEL SUBSTITUTED PYRAZOLES, 1,2,4-OXADIAZOLES, AND 1,3,4-OXADIAZOLES MERCK & CO., INC. (US) 2009-12-03 — — WO claimed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 — — US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 — — US disclosed
US-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles MERCK & CO. INC. 2011-04-07 — — 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 (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-20110081297-A1 Novel Substituted Pyrazoles, 1,2,4-Oxadiazoles, and 1,3,4-Oxadiazoles APP, PSEN1, BACE1 HPGDS 2369/4885MAPT 7/4885ALOX15 1683/4885

“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.