SCHEMBL8685241

SCHEMBL8685241

O=[N+]([O-])c1ccc(C2OCCO2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.43
ALOX12 P18054 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
SLC2A1 P11166 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 1/20 0.40
ATM Q13315 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AGTR1 P30556 1/20 0.39
HSPB1 P04792 1/20 0.38
HSP90AA1 P07900 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
SCHEMBL3387040 0.77 MAPT (0.49) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL14340899 0.76 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL10020557 0.75 MAPT (0.49) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL29739557 0.75 MAPT (0.49) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL18557885 0.73 ADRA2A (0.44) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL3129090 0.73 HSPB1 (0.61) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL699498 0.73 EPHX1 (0.44) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3156019 0.72 MAPT (0.52) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL6234530 0.71 CYP2C9 (0.42) ALDH1A1CYP1A2CYP2C9HPGDMAPT
SCHEMBL14659217 0.70 GAA (0.43) ALDH1A1CYP1A2CYP2C9HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof ASTRAZENECA AB (SE) 2013-06-27 US disclosed
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof ASTRAZENECA AB (SE) 2013-06-27 US disclosed
US-8343996-B2 Azaquinolinone derivatives and uses thereof ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8343996-B2 Azaquinolinone derivatives and uses thereof ASTRAZENECA AB (SE) 2013-01-01 US disclosed
WO-2010057006-A9 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-09-16 WO disclosed
US-20100130540-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-05-27 US disclosed
US-20100130540-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-05-27 US disclosed
WO-2010057006-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF LINK MEDICINE CORPORATION (US) 2010-05-20 WO disclosed
US-5721259-A Method of using 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1998-02-24 US disclosed
EP-0570294-B1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents UNIV YALE (US) 1997-07-30 EP disclosed
US-5281715-A 2-formylpyridine thiosemicarbazone compounds YALE UNIVERSITY (US) 1994-01-25 US disclosed
EP-0570294-A1 2-Formylpyridine thiosemicarbazone derivatives, their preparation and their use as antitumor agents YALE UNIVERSITY (US) 1993-11-18 EP 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ALDH1A1 4544/4885CYP1A2 3880/4885CYP2C9 4440/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR ALDH1A1 4541/4885CYP1A2 3870/4885CYP2C9 4397/4885
US-20100130540-A1 AZAQUINOLINONE DERIVATIVES AND USES THEREOF TPMT, AZI2, NNMT ALDH1A1 332/4885CYP1A2 209/4885CYP2C9 3387/4885
US-20130165473-A1 Azaquinolinone Derivatives and Uses Thereof TPMT, AZI2, NNMT ALDH1A1 332/4885CYP1A2 209/4885CYP2C9 3387/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ALDH1A1 2794/4885CYP1A2 3212/4885CYP2C9 2818/4885

“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.