Sugi Predict

Sugi Predict / Compounds / SCHEMBL3476754

SCHEMBL3476754

SCHEMBL3476754

NC(=O)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.65
▸ MAPT P10636 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ GAA P10253 2/20 0.54
▸ PKM P14618 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ TSHR P16473 2/20 0.52
▸ VCAM1 P19320 1/20 0.51
▸ LMNA P02545 5/20 0.51
▸ POLB P06746 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ CTPS1 P17812 1/20 0.49
▸ TTR P02766 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ AKR1C2 P52895 1/20 0.48
▸ AKR1C1 Q04828 1/20 0.48

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
SCHEMBL31176043 0.86 PARP1 (0.60) PARP1MAPTALDH1A1GAAPKM
SCHEMBL1937077 0.86 PARP1 (0.60) PARP1MAPTALDH1A1GAAPKM
SCHEMBL4605109 0.85 VCAM1 (0.62) MAPTALDH1A1HIF1ATSHRVCAM1
SCHEMBL14150319 0.84 ALDH1A1 (0.53) PARP1MAPTALDH1A1HIF1AVCAM1
SCHEMBL30955194 0.84 ALDH1A1 (0.53) PARP1MAPTALDH1A1HIF1AVCAM1
SCHEMBL24994 0.84 CASP6 (0.70) MAPTALDH1A1HIF1ATSHRVCAM1
SCHEMBL8626465 0.84 TTR (0.62) MAPTALDH1A1HIF1ATSHRVCAM1
SCHEMBL1254186 0.83 PARP1 (0.71) PARP1MAPTALDH1A1GAAPKM
SCHEMBL2657511 0.83 ERN1 (0.60) PARP1MAPTALDH1A1HIF1ATSHR
SCHEMBL1251888 0.82 ALDH1A1 (0.55) MAPTALDH1A1HIF1ATSHRVCAM1

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 180 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
WO-2010130900-A2 TRIAMINOPYRIMIDINE DERIVATIVES AS CDC25 PHOSPHATASE INHIBITORS IPSEN PHARMA S.A.S. (FR) 2010-11-18 — — WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 — — EP claimed
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 — — US claimed
EP-1848713-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-31 — — EP claimed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 — — EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 — — EP claimed
US-20060116407-A1 Amide derivatives HOFFMANN-LA ROCHE INC. 2006-06-01 — — US claimed
WO-2006053778-A2 AMIDE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-26 — — WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 — — WO claimed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 — — US claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 — — EP claimed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 — — EP claimed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 — — WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 — — EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 — — WO claimed
EP-4663632-A1 COMPOUNDS USEFUL FOR THE MODULATION OF THE ACTIVITY OF STING Sulis Therapeutics ApS (DK) 2025-12-17 — — EP disclosed
WO-1999031491-A1 METHOD AND REAGENTS FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-06-24 — — 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 (3 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-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION HTT, ATXN2, ATXN2L PARP1 331/4885MAPT 26/4885ALDH1A1 3178/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L PARP1 331/4885MAPT 26/4885ALDH1A1 3178/4885
US-20060116407-A1 Amide derivatives GLS, SDHA, GLS2 PARP1 3341/4885MAPT 3340/4885ALDH1A1 71/4885

“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.