SCHEMBL650683

SCHEMBL650683

CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC29A1 Q99808 9/20 0.40
ADORA3 P0DMS8 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
SCHEMBL29703 0.87 LMNA (0.49) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL1062447 0.87 LMNA (0.49) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL29446054 0.87 LMNA (0.49) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL14084325 0.87 LMNA (0.49) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL14534827 0.87 LMNA (0.49) CYP1A2NFKB1THPOALDH1A1PMP22
SCHEMBL11940587 0.84 SLC6A2 (0.35) CYP1A2ALDH1A1
SCHEMBL14454732 0.84 SLC6A2 (0.35) CYP1A2ALDH1A1
SCHEMBL11934657 0.81 SLC29A1 (0.42) SLC29A1ADORA3
SCHEMBL11934656 0.81 SLC29A1 (0.42) SLC29A1ADORA3
SCHEMBL11934654 0.80 SLC6A2 (0.33) CYP1A2NFKB1THPOALDH1A1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024123993-A1 SELECTIVE APOPTOSIS-INDUCING METHODS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-06-13 WO disclosed
CN-111849912-B Method for activating T cells using inducible chimeric polypeptides 贝里坤制药股份有限公司 2024-03-15 CN disclosed
US-11839647-B2 Methods for inducing partial apoptosis using caspase polypeptides BELLICUM PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230270831-A1 METHODS FOR INDUCING SELECTIVE APOPTOSIS BAYLOR COLLEGE OF MEDICINE 2023-08-31 US disclosed
EP-4219544-A1 T-CELL RECEPTORS DIRECTED AGAINST THE PREFERENTIALLY EXPRESSED ANTIGEN OF MELANOMA AND USES THEREOF Academisch Ziekenhuis Leiden H.O.D.N. Leids Universitair Medisch Centrum (NL) 2023-08-02 EP disclosed
EP-4201955-A1 T-CELL RECEPTORS DIRECTED AGAINST THE PREFERENTIALLY EXPRESSED ANTIGEN OF MELANOMA AND USES THEREOF Academisch Ziekenhuis Leiden H.O.D.N. Leids Universitair Medisch Centrum (NL) 2023-06-28 EP disclosed
US-20230065562-A1 DUAL CONTROLS FOR THERAPEUTIC CELL ACTIVATION OR ELIMINATION BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-03-02 US disclosed
EP-3268014-B1 T-CELL RECEPTORS DIRECTED AGAINST THE PREFERENTIALLY EXPRESSED ANTIGEN OF MELANOMA AND USES THEREOF ACADEMISCH ZIEKENHUIS LEIDEN H O D N LEIDS UNIV MEDISCH CENTRUM (NL) 2022-09-21 EP disclosed
US-20220125837-A1 METHODS FOR CONTROLLED ELIMINATION OF THERAPEUTIC CELLS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-04-28 US disclosed
US-20220025024-A1 METHODS FOR ACTIVATING T CELLS USING AN INDUCIBLE CHIMERIC POLYPEPTIDE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-27 US disclosed
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-17 US disclosed
US-7632932-B2 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-12-15 US disclosed
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2009-11-12 US disclosed
US-7579451-B2 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2009-08-25 US disclosed
US-20090156529-A1 RNAi Inhibition of Alpha-ENaC Expression NOVARTIS AG 2009-06-18 US disclosed
EP-1913011-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2008-04-23 EP disclosed
US-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS (US) 2007-03-08 US disclosed
WO-2006112872-A2 OLIGONUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase ALNYLAM PHARMACEUTICALS, INC. (US) 2006-02-16 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 (5 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-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION SNRPE, EIF2AK2, AGO2 CYP1A2 4676/4885NFKB1 2845/4885THPO 4413/4885
US-20090312531-A1 OLIGNUCLEOTIDES COMPRISING A LIGAND TETHERED TO A MODIFIED OR NON-NATURAL NUCLEOBASE DUT, NOP58, DPYD CYP1A2 4506/4885NFKB1 1153/4885THPO 1513/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT CYP1A2 4285/4885NFKB1 944/4885THPO 1984/4885
US-20090281298-A1 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE NT5C3B, DERA, DUT CYP1A2 4739/4885NFKB1 1051/4885THPO 1965/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT CYP1A2 4739/4885NFKB1 1051/4885THPO 1965/4885

“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.