SCHEMBL649172

SCHEMBL649172

O=[N+]([O-])c1ccc2[c]c[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
NAMPT P43490 1/20 0.49
XDH P47989 1/20 0.49
GRIA1 P42261 1/20 0.47
GRIA2 P42262 1/20 0.47
GRIA3 P42263 1/20 0.47
GRIA4 P48058 1/20 0.47
DAO P14920 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NOS1 P29475 2/20 0.44
ALOX15 P16050 1/20 0.44
PARP1 P09874 1/20 0.42
TDP1 Q9NUW8 5/20 0.41
ALDH1A1 P00352 3/20 0.41
PSMB8 P28062 1/20 0.41
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.40
MAOB P27338 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL650219 0.86 GRIA1 (0.47) CYP3A4NAMPTXDHGRIA1GRIA2
SCHEMBL406467 0.70 MAPT (0.50) CYP3A4NAMPTXDHGRIA1GRIA2
SCHEMBL6008297 0.67 PARP1 (0.73) CYP3A4NAMPTXDHGRIA1GRIA2
SCHEMBL29993384 0.67 PARP1 (0.73) CYP3A4NAMPTXDHGRIA1GRIA2
SCHEMBL208707 0.67 AHR (0.42) DAO
SCHEMBL207535 0.67 AHR (0.42) NOS1ALDH1A1
SCHEMBL2955170 0.67 TYR (0.42) CYP3A4LMNAALOX15ALDH1A1TSHR
SCHEMBL30011 0.67 MAPT (0.54) CYP3A4NAMPTXDHGRIA1GRIA2
SCHEMBL29904251 0.67 MAPT (0.54) CYP3A4NAMPTXDHGRIA1GRIA2
SCHEMBL4427396 0.66 GRIA1 (0.58) CYP3A4GRIA1GRIA2GRIA3GRIA4

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 158 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
CN-117402829-A Dual control for therapeutic cell activation or elimination 贝里坤制药股份有限公司 2024-01-16 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-20220152100-A1 METHODS FOR CONTROLLED ACTIVATION OR ELIMINATION OF THERAPEUTIC CELLS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-05-19 US disclosed
US-20080213891-A1 RNAi Agents Comprising Universal Nucleobases ALNYLAM PHARMACEUTICALS, INC. (US) 2008-09-04 US disclosed
EP-1951737-A2 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION Alnylam Pharmaceuticals Inc. (US) 2008-08-06 EP 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
EP-1828215-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE Alnylam Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
US-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
WO-2007053696-A2 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION ALNYLAM PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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
WO-2006093526-A2 OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE ALNYLAM PHARMACEUTICALS, INC. (US) 2006-09-08 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 (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-20080213891-A1 RNAi Agents Comprising Universal Nucleobases NOP2, NOP58, FBL CYP3A4 4505/4885NAMPT 827/4885XDH 3628/4885
US-20070197460-A1 RNAI INHIBITION OF INFLUENZA VIRUS REPLICATION SNRPE, EIF2AK2, AGO2 CYP3A4 4767/4885NAMPT 824/4885XDH 3439/4885
US-20070054279-A1 Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase DERA, NT5C3B, DUT CYP3A4 3893/4885NAMPT 113/4885XDH 2553/4885
US-20060035254-A1 Oligonucleotides comprising a modified or non-natural nucleobase NT5C3B, DERA, DUT CYP3A4 4661/4885NAMPT 35/4885XDH 2143/4885

“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.