SCHEMBL839031

SCHEMBL839031

O=C(Cc1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MYC P01106 9/20 0.57
MAX P61244 5/20 0.57
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
IDO1 P14902 4/20 0.54
MAPT P10636 2/20 0.52
PSMD14 O00487 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
OPRK1 P41145 1/20 0.52
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.44
DRD1 P21728 2/20 0.44

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
SCHEMBL17546359 0.86 IDO1 (0.40) MYCMAXMEN1KMT2ANPC1
SCHEMBL12900559 0.83 GSTM2 (0.51) MYCMAXMEN1KMT2ANPC1
SCHEMBL22030234 0.80 MEN1 (0.73) MYCMAXMEN1KMT2ANPC1
SCHEMBL12040492 0.79 MEN1 (0.67) MYCMAXMEN1KMT2ANPC1
SCHEMBL13795300 0.78 GSTM2 (0.61) MYCMEN1KMT2A
SCHEMBL596079 0.78 GSTM2 (0.61) MYCMEN1KMT2A
SCHEMBL20101720 0.77 GSTM2 (0.49) MYCMAXMEN1KMT2AIDO1
SCHEMBL409789 0.76 IDO1 (0.74) MYCMAXMEN1KMT2ANPC1
SCHEMBL6834736 0.74 IDO1 (0.76) MYCMAXMEN1KMT2ANPC1
SCHEMBL21969702 0.74 MEN1 (0.44) MYCMAXMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025050003-A1 HIGH-THROUGHPUT CONDENSATE MODULATOR SCREEN TRANSITION BIO, INC. (US) 2025-03-06 WO claimed
US-20230149478-A1 COMPOSITIONS AND METHODS FOR DIABETES TREATMENT THE GENERAL HOSPITAL CORPORATION 2023-05-18 US claimed
EP-4125829-A2 COMPOSITIONS AND METHODS FOR DIABETES TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2023-02-08 EP claimed
WO-2021195344-A2 COMPOSITIONS AND METHODS FOR DIABETES TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2021-09-30 WO claimed
US-12587724-B2 Digitally enhanced microscopy for multiplexed histology VENTANA MEDICAL SYSTEMS, INC. (US) 2026-03-24 US disclosed
EP-4710112-A2 IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS AND METHODS FOR DIAGNOSING AND TREATING CANCER - CLAUDIN 18.2 Agilent Technologies, Inc. (US) 2026-03-18 EP disclosed
EP-4684212-A1 IMMUNOHISTOCHEMISTRY (IHC) PTK7 SCORING PROTOCOLS AND METHODS FOR AIDING CANCER TREATMENTS Agilent Technologies, Inc. (US) 2026-01-28 EP disclosed
EP-4659024-A1 IMMUNOHISTOCHEMISTRY (IHC) MAGE-A4 SCORING PROTOCOLS AND METHODS FOR AIDING CANCER TREATMENTS Agilent Technologies, Inc. (US) 2025-12-10 EP disclosed
EP-4544304-A1 IMMUNOHISTOCHEMISTRY (IHC) PROTOCOLS AND METHODS FOR DIAGNOSING AND TREATING CANCER Agilent Technologies, Inc. (US) 2025-04-30 EP disclosed
US-20250106488-A1 DIGITALLY ENHANCED MICROSCOPY FOR MULTIPLEXED HISTOLOGY VENTANA MEDICAL SYSTEMS, INC. 2025-03-27 US disclosed
WO-2025050003-A1 HIGH-THROUGHPUT CONDENSATE MODULATOR SCREEN TRANSITION BIO, INC. (US) 2025-03-06 WO disclosed
US-20250066426-A1 PEPTIDE NUCLEIC ACID CONJUGATES VENTANA MED SYST INC (US) 2025-02-27 US disclosed
US-8865130-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2014-10-21 US disclosed
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2013-02-28 US disclosed
US-8143302-B2 Methods and compositions for diagnostic and therapeutic targeting of COX-2 VANDERBILT UNIVERSITY (US) 2012-03-27 US disclosed
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2010-10-07 US disclosed
US-7736624-B2 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy UNIV VANDERBILT (US) 2010-06-15 US disclosed
EP-2040699-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 Vanderbilt University Medical Center (US) 2009-04-01 EP disclosed
WO-2007149456-A2 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 VANDERBILT UNIVERSITY (US) 2007-12-27 WO disclosed
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 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 (6 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-12587724-B2 Digitally enhanced microscopy for multiplexed histology MAP1LC3B, MAP1LC3A, MAP1LC3C MYC 425/4885MAX 655/4885MEN1 330/4885
US-20230149478-A1 COMPOSITIONS AND METHODS FOR DIABETES TREATMENT SLC2A1, G6PD, HK1 MYC 847/4885MAX 2181/4885MEN1 2493/4885
US-20100254910-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MYC 2577/4885MAX 3588/4885MEN1 3725/4885
US-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 MYC 3836/4885MAX 4140/4885MEN1 4291/4885
US-20130052138-A1 METHODS AND COMPOSITIONS FOR DIAGNOSTIC AND THERAPEUTIC TARGETING OF COX-2 PTGS2, PTGES2, PTGER2 MYC 2577/4885MAX 3588/4885MEN1 3725/4885
US-20250066426-A1 PEPTIDE NUCLEIC ACID CONJUGATES PCNA, PARG, POLL MYC 22/4885MAX 292/4885MEN1 1074/4885

“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.