SCHEMBL949620

SCHEMBL949620

CC(C)(C)OC(=O)Nc1ccc(CC(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
HDAC1 Q13547 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.46
GRIN2B Q13224 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45

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
SCHEMBL15701270 0.88 NAMPT (0.48) NAMPTHDAC1PTGDR2GRIN2BCYP17A1
SCHEMBL30684527 0.86 P4HTM (0.48) NAMPTHDAC1PTGDR2GRIN2BP4HTM
SCHEMBL30684531 0.86 P4HTM (0.48) NAMPTHDAC1PTGDR2GRIN2BP4HTM
SCHEMBL15354526 0.86 NAMPT (0.50) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL540536 0.86 NAMPT (0.50) NAMPTHDAC1PTGDR2GRIN2BCYP17A1
SCHEMBL164105 0.84 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B
SCHEMBL9980800 0.84 NAMPT (0.49) NAMPTHDAC1PTGDR2GRIN2BCYP17A1
SCHEMBL21394710 0.84 NAMPT (0.49) NAMPTHDAC1PTGDR2GRIN2BCYP17A1
SCHEMBL540467 0.84 NAMPT (0.49) NAMPTHDAC1PTGDR2GRIN2BCYP17A1
SCHEMBL29523504 0.84 HDAC1 (0.52) NAMPTHDAC1GRIN2BCYP17A1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023278456-A2 PYRIMIDINE-COMPLIANT PEPTIDE NUCLEIC ACID COMPOSITIONS AND METHODS OF USE THEREOF NEUBASE THERAPEUTICS, INC. (US) 2023-01-05 WO disclosed
US-10385100-B2 Compositions and methods for recognition of RNA using triple helix forming peptide nucleic acids The Research Foundation for the State University o (US) 2019-08-20 US disclosed
US-10385100-B2 Compositions and methods for recognition of RNA using triple helix forming peptide nucleic acids The Research Foundation for the State University o (US) 2019-08-20 US disclosed
US-10260089-B2 Compositions and methods for recognition of RNA using triple helical peptide nucleic acids THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2019-04-16 US disclosed
US-10260089-B2 Compositions and methods for recognition of RNA using triple helical peptide nucleic acids THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2019-04-16 US disclosed
US-20170009280-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS UNIV NEW YORK STATE RES FOUND (US) 2017-01-12 US disclosed
US-20170009280-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS UNIV NEW YORK STATE RES FOUND (US) 2017-01-12 US disclosed
US-20170009280-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS UNIV NEW YORK STATE RES FOUND (US) 2017-01-12 US disclosed
US-20140206838-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-07-24 US disclosed
US-20140206838-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-07-24 US disclosed
US-20140206838-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2014-07-24 US disclosed
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 WO disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 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 (4 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-20170009280-A1 COMPOSITIONS AND METHODS FOR RECOGNITION OF RNA USING TRIPLE HELICAL PEPTIDE NUCLEIC ACIDS TARBP1, TRDMT1, ADAR NAMPT 830/4885HDAC1 2626/4885PTGDR2 4149/4885
US-10260089-B2 Compositions and methods for recognition of RNA using triple helical peptide nucleic acids TARBP1, TRDMT1, ADAR NAMPT 830/4885HDAC1 2626/4885PTGDR2 4149/4885
US-10385100-B2 Compositions and methods for recognition of RNA using triple helix forming peptide nucleic acids TARBP1, TRDMT1, NSUN3 NAMPT 858/4885HDAC1 3096/4885PTGDR2 4287/4885
US-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB NAMPT 827/4885HDAC1 3077/4885PTGDR2 3845/4885

“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.