Sugi Predict

Sugi Predict / Compounds / SCHEMBL2319640

SCHEMBL2319640

SCHEMBL2319640

O=[N+]([O-])c1ccc(-n2cnc(-c3c(-c4ccccc4)noc3C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ RAB9A P51151 2/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ TLR1 Q15399 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ PSD A5PKW4 1/20 0.39
▸ TAAR1 Q96RJ0 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ THRB P10828 1/20 0.37

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
SCHEMBL2317399 0.91 PTGS2 (0.46) PTGS2ESR1ESR2MAPTTLR2
SCHEMBL2320304 0.90 MAPT (0.43) PTGS2MAPTRAB9ATLR2TLR1
SCHEMBL2318319 0.87 ESR1 (0.52) PTGS2ESR1ESR2MAPTRAB9A
SCHEMBL2317325 0.85 ESR1 (0.48) PTGS2ESR1ESR2MAPTRAB9A
SCHEMBL2319847 0.85 ESR1 (0.48) PTGS2ESR1ESR2MAPTRAB9A
SCHEMBL2473363 0.85 GABRA5 (0.46) PTGS2MAPTRAB9ATLR2TLR1
SCHEMBL2318956 0.84 ESR1 (0.47) PTGS2ESR1ESR2MAPTRAB9A
SCHEMBL2324037 0.84 ESR1 (0.47) PTGS2ESR1ESR2RAB9ANPC1
SCHEMBL2474228 0.82 PTGS2 (0.48) PTGS2MAPTRAB9ATLR2TLR1
SCHEMBL2321221 0.82 ESR1 (0.46) PTGS2ESR1ESR2MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 — — EP claimed
CN-101965344-A Isoxazole-imidazole derivatives HOFFMANN LA ROCHE 2011-02-02 — — CN claimed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 — — US claimed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 — — US claimed
CN-101965344-B Isoxazole-imidazole derivatives HOFFMANN LA ROCHE 2013-03-06 — — CN disclosed
EP-2170873-B1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 — — EP disclosed
CN-101965344-A Isoxazole-imidazole derivatives HOFFMANN LA ROCHE 2011-02-02 — — CN disclosed
US-7851469-B2 Isoxazole-imidazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-14 — — US disclosed
EP-2170873-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-04-07 — — EP disclosed
US-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-01-01 — — US disclosed
WO-2009000662-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-31 — — 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-20090005370-A1 ISOXAZOLE-IMIDAZOLE DERIVATIVES GABRA5, GABRA1, GABRA4 PTGS2 2317/4885ESR1 721/4885ESR2 814/4885

“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.