SCHEMBL2313784

SCHEMBL2313784

NP(=O)(OCc1ccccc1[N+](=O)[O-])OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
HPGD P15428 1/20 0.47
MAOB P27338 1/20 0.47
CTSD P07339 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
CCR5 P51681 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 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
SCHEMBL2232563 0.86 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL2232567 0.83 ALDH1A1 (0.51) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL2232577 0.83 ALDH1A1 (0.51) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL27770642 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL8437481 0.80 ALDH1A1 (0.48) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL6691321 0.79 ALDH1A1 (0.48) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL1520430 0.79 ALDH1A1 (0.58) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL20279659 0.78 ALDH1A1 (0.50) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL14366321 0.78 ALDH1A1 (0.47) ALDH1A1TSHRHTTHPGDMAOB
SCHEMBL77922 0.78 ALDH1A1 (0.62) ALDH1A1TSHRHTTHPGDMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136521-A1 Method for Selectively Depleting Hypoxic Cells GENETIX PHARMACEUTICALS , INC. (US) 2009-05-28 US claimed
EP-1931769-A2 METHOD FOR SELECTIVELY DEPLETING HYPOXIC CELLS Genetix Pharmaceuticals Inc. (US) 2008-06-18 EP claimed
WO-2007041546-A2 METHOD FOR SELECTIVELY DEPLETING HYPOXIC CELLS GENETIX PHARMACEUTICALS, INC. (US) 2007-04-12 WO claimed
US-11262362-B2 2-hydroxyglutarate as a biomarker for chronic hypoxia MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2022-03-01 US disclosed
EP-2350664-B1 TREATMENT OF CANCER USING THE HYPOXIA ACTIVATED PRODRUG TH-302 IN COMBINATION WITH DOCETAXEL OR PEMETREXED IMMUNOGENESIS INC (US) 2021-05-19 EP disclosed
EP-2780700-B1 2-HYDROXYGLUTARATE AS A BIOMARKER FOR CHRONIC HYPOXIA MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-04-07 EP disclosed
US-20160144002-A1 Sickled Erythrocytes and Progenitors Target Cytotoxics to Tumors TERMAN DAVID S (US) 2016-05-26 US disclosed
US-9278124-B2 Hypoxia and hyaluronan and markers thereof for diagnosis and monitoring of diseases and conditions and related methods HALOZYME, INC. (US) 2016-03-08 US disclosed
US-20160033533-A1 2-HYDROXYGLUTARATE AS A BIOMARKER FOR CHRONIC HYPOXIA SLOAN KETTERING INST CANCER (US) 2016-02-04 US disclosed
US-20150258125-A1 TREATMENT OF CANCER USING HYPOXIA ACTIVATED PRODRUGS THRESHOLD PHARMACEUTICALS, INC. 2015-09-17 US disclosed
US-20150037297-A1 Sickled Erythrocytes and Progenitors Target Cytotoxics to Tumors TERMAN DAVID S (US) 2015-02-05 US disclosed
US-20120195869-A1 Sickled Erythrocytes with Anti-tumor Agents Induce Tumor Vaso-occlusion and Tumoricidal Effects TERMAN DAVID S (US) 2012-08-02 US disclosed
EP-2350664-A1 TREATMENT OF CANCER USING HYPOXIA ACTIVATED PRODRUGS Threshold Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
US-20100203024-A1 Sickled Erythrocytes, Nucleated Precursors & Erythroleukemia Cells for Targeted Delivery of Oncolytic Viruses, Anti-tumor Proteins, Plasmids, Toxins, Hemolysins & Chemotherapy TERMAN DAVID S 2010-08-12 US disclosed
US-20100158871-A1 Sickled erythrocytes with antitumor molecules induce tumoricidal effects Terman, David Stephen (US) 2010-06-24 US disclosed
WO-2010048330-A1 TREATMENT OF CANCER USING HYPOXIA ACTIVATED PRODRUGS THRESHOLD PHARMACEUTICALS, INC. (US) 2010-04-29 WO disclosed
US-20090136521-A1 Method for Selectively Depleting Hypoxic Cells GENETIX PHARMACEUTICALS , INC. (US) 2009-05-28 US disclosed
EP-1931769-A2 METHOD FOR SELECTIVELY DEPLETING HYPOXIC CELLS Genetix Pharmaceuticals Inc. (US) 2008-06-18 EP disclosed
WO-2007143451-A2 TARGETED DELIVERY OF ONCOLYTIC VIRUSES, ANTI-TUMOR PROTEINS, PLASMIDS, TOXINS, HEMOLYSINS & CHEMOTHERAPY TERMAN DAVID S (US) 2007-12-13 WO disclosed
WO-2007041546-A2 METHOD FOR SELECTIVELY DEPLETING HYPOXIC CELLS GENETIX PHARMACEUTICALS, INC. (US) 2007-04-12 WO 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 (1 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-20150258125-A1 TREATMENT OF CANCER USING HYPOXIA ACTIVATED PRODRUGS HIF1AN, HIF1A, EGLN3 ALDH1A1 87/4885TSHR 918/4885HTT 3563/4885

“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.