SCHEMBL3586217

SCHEMBL3586217

COc1cc([N+](=O)[O-])cnc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.47
PKM P14618 2/20 0.47
IDO1 P14902 1/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 3/20 0.46
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
RECQL P46063 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
ERN1 O75460 1/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LCK P06239 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL29865611 0.81 HTT (0.50) HTTTDP1MAPTPKMKMT2A
SCHEMBL2207311 0.81 HTT (0.50) HTTTDP1MAPTPKMKMT2A
SCHEMBL29764890 0.79 HTT (0.49) HTTTDP1MAPTPKMKMT2A
SCHEMBL17631174 0.79 HTT (0.49) HTTTDP1MAPTPKMKMT2A
SCHEMBL181084 0.79 HTT (0.49) HTTTDP1MAPTPKMKMT2A
SCHEMBL6073752 0.79 HTT (0.49) HTTTDP1MAPTPKMKMT2A
SCHEMBL29701749 0.79 HTT (0.49) HTTTDP1MAPTPKMKMT2A
SCHEMBL3648669 0.79 ERN1 (0.50) HTTTDP1MAPTPKMKMT2A
SCHEMBL8986119 0.79 HTT (0.49) HTTTDP1MAPTPKMKMT2A
SCHEMBL15544574 0.77 PKM (0.48) HTTTDP1MAPTPKMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 US disclosed
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ANTARES THERAPEUTICS, INC. 2024-03-28 US disclosed
CN-116981667-A Heterocyclic inhibitors of EGFR and/or HER2 for cancer treatment 蝎子疗法股份有限公司 2023-10-31 CN disclosed
EP-4225445-A2 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER Scorpion Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed
CN-113061098-B Amide compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2022-08-30 CN disclosed
WO-2022076831-A2 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. 2022-03-24 US disclosed
EP-3911652-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS Biogen MA Inc. (US) 2021-11-24 EP disclosed
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
EP-1863757-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-12-12 EP disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
WO-2006099410-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-21 WO disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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 (7 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-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 HTT 3330/4885TDP1 4280/4885MAPT 3268/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 HTT 3330/4885TDP1 4280/4885MAPT 3268/4885
US-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 HTT 616/4885TDP1 2792/4885MAPT 2749/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 HTT 616/4885TDP1 2792/4885MAPT 2749/4885
US-20240101576-A1 HETEROCYCLIC INHIBITORS OF EGFR AND/OR HER2, FOR USE IN THE TREATMENT OF CANCER ERBB2, EGFR, ERBB3 HTT 627/4885TDP1 2190/4885MAPT 1090/4885
US-20220089592-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS IRAK4, IRAK2, IRAK1 HTT 4643/4885TDP1 796/4885MAPT 2697/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 HTT 3330/4885TDP1 4280/4885MAPT 3268/4885

“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.