Sugi Predict

Sugi Predict / Compounds / SCHEMBL12027414

SCHEMBL12027414

SCHEMBL12027414

CCCCN(CC)c1cc(C)nc(N(CC(=O)OCC)c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PPARG P37231 1/20 0.36
▸ CRHR1 P34998 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GPX4 P36969 1/20 0.34
▸ AR P10275 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL3808926 0.86 CRHR1 (0.39) CRHR1ALDH1A1MAPT
SCHEMBL3803535 0.84 CRHR1 (0.43) CRHR1ALDH1A1MAPT
SCHEMBL9980819 0.84 CRHR1 (0.40) MEN1KMT2ALMNAHTTCRHR1
SCHEMBL12046690 0.84 PPARG (0.37) MEN1KMT2ALMNAPPARGCRHR1
SCHEMBL12027415 0.72 MAPT (0.43) MEN1KMT2ALMNAHTTCRHR1
SCHEMBL1749773 0.72 MAPT (0.46) MEN1KMT2ALMNAHTTALDH1A1
SCHEMBL5844440 0.71 CRHR1 (0.43) CRHR1CYP3A4MAPT
SCHEMBL11234182 0.70 PPARG (0.55) MEN1KMT2APPARGALDH1A1CYP1A2
SCHEMBL28751721 0.68 ALDH1A1 (0.54) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL4458579 0.67 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 — — US disclosed
US-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2014-06-26 — — US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 — — US disclosed
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT UNIV EMORY (US) 2013-10-31 — — US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 — — US disclosed
US-8551996-B2 Compounds, compositions, methods of synthesis, and methods of treatment EMORY UNIVERSITY (US) 2013-10-08 — — US disclosed
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT EMORY UNIVERSITY (US) 2011-12-15 — — 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 (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-20140179919-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 MEN1 321/4885KMT2A 4421/4885LMNA 3311/4885
US-20110305636-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 MEN1 141/4885KMT2A 3953/4885LMNA 4152/4885
US-20130287687-A1 COMPOUNDS, COMPOSITIONS, METHODS OF SYNTHESIS, AND METHODS OF TREATMENT CRH, CRHR1, CRHR2 MEN1 321/4885KMT2A 4421/4885LMNA 3311/4885

“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.