SCHEMBL221671

SCHEMBL221671

COc1cc(O)ncc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
PRKDC P78527 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PIN1 Q13526 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
LMNA P02545 2/20 0.41
EGFR P00533 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
ERN1 O75460 2/20 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
SCHEMBL17222837 1.00 ALDH1A1 (0.44) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL4594918 0.83 MAPT (0.46) ALDH1A1MAPTLMNAL3MBTL1
SCHEMBL30399809 0.81 ALDH1A1 (0.46) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL4719832 0.81 ALDH1A1 (0.46) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL14333666 0.81 ALDH1A1 (0.46) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL31104497 0.79 ALDH1A1 (0.44) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL29811740 0.79 PIN1 (0.50) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL29179660 0.79 HTT (0.45) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL1100650 0.79 PIN1 (0.50) ALDH1A1TDP1PKMMAPTKDM4E
SCHEMBL16304146 0.79 ALDH1A1 (0.44) ALDH1A1TDP1PKMMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025201477-A1 SPIROCYCLIC GSDME INHIBITORS PYROTECH (BEIJING) BIOTECHNOLOGY CO.,LTD. (CN) 2025-10-02 WO disclosed
CN-112469710-B Pyridyl and pyrazinyl- (aza) indole sulfonamides 优时比制药有限公司 2024-05-14 CN disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
US-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides UCB PHARMA GMBH (DE) 2024-03-26 US disclosed
EP-4074703-B1 PYRIDINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2023-11-29 EP disclosed
EP-4074703-A1 PYRIDINYL-(AZA)INDOLSULFONAMIDES UCB Pharma GmbH (DE) 2022-10-19 EP disclosed
EP-3810591-B1 PYRIDINYL AND PYRAZINYL-(AZA)INDOLSULFONAMIDES UCB PHARMA GMBH (DE) 2022-08-10 EP disclosed
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-07-26 US disclosed
EP-2831079-B1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF AGENCY SCIENCE TECH & RES (SG) 2017-08-16 EP disclosed
EP-3140007-A1 METHODS OF MAKING NETUPITANT AND INTERMEDIATES THEREOF Apicore US LLC (US) 2017-03-15 EP disclosed
US-7547779-B2 Preparation of 1,6-disubstituted azabenzimidazoles as kinase inhibitors GLAXO GROUP LIMITED (GB) 2009-06-16 US disclosed
EP-1675552-A4 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2009-06-03 EP disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors GLAXOSMITHKLINE LLC 2008-09-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO disclosed
EP-1675552-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-07-05 EP disclosed
WO-2005037197-A2 PREPERATION OF 1,6-DISUBSTITUTED AZABENZIMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-04-28 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 (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-11939319-B2 Pyridinyl and pyrazinyl-(asa)indolsulfonamides GPR17, GPR18, GPR119 ALDH1A1 732/4885TDP1 3788/4885PKM 2696/4885
US-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885TDP1 751/4885PKM 889/4885
US-20180208600-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS MNK1 AND MNK2 MODULATORS AND USES THEREOF MAPKAPK2, MKNK2, MAP4K2 ALDH1A1 4308/4885TDP1 1034/4885PKM 455/4885
US-20080234261-A1 Preparation of 1,6-Disubstituted Azabenzimidazoles as Kinase Inhibitors TNK2, ROCK1, ARHGDIB ALDH1A1 4395/4885TDP1 1348/4885PKM 1613/4885

“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.