Sugi Predict

Sugi Predict / Compounds / SCHEMBL3585249

SCHEMBL3585249

SCHEMBL3585249

CCOC(=O)c1c(-c2cc(O)c(O)c([N+](=O)[O-])c2)coc1-c1ccc(C(F)(F)F)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TTR P02766 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ALOX5 P09917 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PABPC1 P11940 1/20 0.33

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
SCHEMBL27743599 0.89 TTR (0.36) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3587861 0.87 MAPT (0.38) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3585030 0.84 TDP2 (0.37) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL1447411 0.83 MAPT (0.37) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL3584770 0.83 ALDH1A1 (0.37) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3588701 0.83 MAPT (0.37) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3584882 0.83 MAPT (0.38) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL3592544 0.83 MAPT (0.39) MAPTALDH1A1KDM4EHPGDGAA
SCHEMBL3591295 0.83 MAPT (0.39) MAPTALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL1446767 0.82 MAPT (0.39) MAPTALDH1A1KDM4EHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9446012-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-09-20 — — US disclosed
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2014-01-23 — — US disclosed
US-8536203-B2 Pharmaceutical compounds BIAL-PORTELA & CA, S.A. (PT) 2013-09-17 — — US disclosed
EP-2617713-A1 New Pharmaceutical Compounds BIAL - Portela & Ca., S.A. (PT) 2013-07-24 — — EP disclosed
US-20100168113-A1 Pharmaceutical Compounds BIAL-PORTELA & CA., S.A. (PT) 2010-07-01 — — US disclosed
EP-2027091-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - Portela & Ca., S.A. (PT) 2009-02-25 — — EP disclosed
CN-101248064-A Nitrocatechol derivatives as COMT inhibitors PORTELA & CA SA (PT) 2008-08-20 — — CN disclosed
WO-2007117165-A1 NEW PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2007-10-18 — — 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 (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-20100168113-A1 Pharmaceutical Compounds PMP22, CNR2, OPRL1 MAPT 310/4885ALDH1A1 1070/4885L3MBTL1 4603/4885
US-20140024682-A1 PHARMACEUTICAL COMPOUNDS PMP22, CNR2, OPRL1 MAPT 310/4885ALDH1A1 1070/4885L3MBTL1 4603/4885

“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.