SCHEMBL7366072

SCHEMBL7366072

COc1cc(C(=O)c2ccccc2F)cc([N+](=O)[O-])c1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 6/20 0.73
ALDH1A1 P00352 3/20 0.73
LMNA P02545 2/20 0.73
MAPT P10636 2/20 0.73
KMT2A Q03164 2/20 0.73
GPR35 Q9HC97 2/20 0.73
KDM4E B2RXH2 1/20 0.73
MEN1 O00255 1/20 0.73
GMNN O75496 1/20 0.73
TP53 P04637 1/20 0.73
CYP3A4 P08684 1/20 0.73
THRB P10828 1/20 0.73
CYP2C9 P11712 1/20 0.73
HPGD P15428 1/20 0.73
TSHR P16473 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
RECQL P46063 1/20 0.73
RAB9A P51151 1/20 0.73
BLM P54132 1/20 0.73

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
SCHEMBL7374869 0.89 ALDH1A1 (0.63) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL15158464 0.88 TTR (0.70) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL7372563 0.88 TTR (0.70) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL7369635 0.86 TTR (0.58) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL7369248 0.85 LMNA (0.66) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL7367724 0.85 TTR (0.57) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL7366494 0.85 TTR (0.54) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL6036458 0.84 TTR (1.00) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL29551547 0.84 TTR (1.00) TTRALDH1A1LMNAMAPTKMT2A
SCHEMBL16450343 0.84 TTR (0.78) TTRALDH1A1LMNAMAPTKMT2A

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
US-9308209-B2 Identification of stabilizers of multimeric proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) 2016-04-12 US disclosed
US-20150126532-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2015-05-07 US disclosed
US-8877795-B2 Identification of stabilizers of multimeric proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-11-04 US disclosed
US-20130203777-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2013-08-08 US disclosed
US-5705703-A ENZYME INHIBITORS OF TRANSFERASES HOFFMANN-LA ROCHE INC. (US) 1998-01-06 US disclosed
US-5633371-A ENZYME INHIBITORS; TREATMENT OF DEPRESSION AND PARKINSON*S DISEASE HOFFMANN-LA ROCHE INC. (US) 1997-05-27 US disclosed
US-5476875-A Catechol derivatives HOFFMAN-LA ROCHE INC. (US) 1995-12-19 US disclosed
US-5389653-A Inhibitors of the enzyme catechol-O-methyltransferase; useful as co-medication in treatment of Parkinson's disease HOFFMAN-LA ROCHE INC. (US) 1995-02-14 US disclosed
US-5236952-A Inhibit the enzyme catechol-O-methyltransferase; for treatment of Parkinson's disease administered with L-dopa HOFFMANN-LA ROCHE INC. (US) 1993-08-17 US disclosed
EP-0237929-B1 3,5-DISUBSTITUTED PYROCATECHOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-06-02 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP 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-20130203777-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSP90B1 TTR 1/4885ALDH1A1 3222/4885LMNA 3091/4885
US-20150126532-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSPH1 TTR 1/4885ALDH1A1 3493/4885LMNA 2888/4885

“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.