Sugi Predict

Sugi Predict / Compounds / SCHEMBL5987375

SCHEMBL5987375

SCHEMBL5987375

O=C(OCc1oc(=O)oc1-c1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ PPARG P37231 1/20 0.39
▸ BCL9 O00512 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL390309 0.89 HTR2A (0.48) HTR2ASMN1; SMN2ALDH1A1MAPTBCL9
SCHEMBL393557 0.81 HTR2A (0.54) HTR2ASMN1; SMN2ALDH1A1MAPTBCL9
SCHEMBL4629962 0.80 KDM4E (0.38) HTR2AALDH1A1MAPTPOLBMAPK1
SCHEMBL2235790 0.79 HTR2A (0.51) HTR2ASMN1; SMN2ALDH1A1MAPTBCL9
SCHEMBL1714950 0.77 HTR2A (0.70) HTR2ASMN1; SMN2ALDH1A1MAPTBCL9
SCHEMBL4629964 0.75 GAA (0.38) HTR2AALDH1A1MAPTPPARGPOLB
SCHEMBL17022709 0.73 POLB (0.63) SMN1; SMN2ALDH1A1MAPTPPARGBCL9
SCHEMBL18992151 0.73 HTR2A (0.61) HTR2ASMN1; SMN2MAPTPOLBMAPK1
SCHEMBL9140032 0.72 HTR2A (0.57) HTR2ASMN1; SMN2ALDH1A1MAPTBCL9
SCHEMBL5827968 0.72 HTR2A (0.80) HTR2AALDH1A1BCL9CTNNB1MAPK1

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-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 — — US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 — — US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 — — EP disclosed
US-8101590-B2 9-aminocarbonylsubstituted derivatives of glycylcyclines WYETH LLC (US) 2012-01-24 — — US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 — — WO disclosed
US-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines WYETH (US) 2007-03-01 — — 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-20070049564-A1 9-Aminocarbonylsubstituted derivatives of glycylcyclines Q6ZSR9, GMPS, RPS10 HTR2A 3086/4885SMN1; SMN2 4211/4885ALDH1A1 1826/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 HTR2A 1634/4885SMN1; SMN2 4274/4885ALDH1A1 484/4885

“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.