Sugi Predict

Sugi Predict / Compounds / SCHEMBL331623

SCHEMBL331623

SCHEMBL331623

COC(=O)c1n[nH]c(C(=O)OC)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP7 P55210 1/20 0.35

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
SCHEMBL27642437 0.94 KDM4C (0.54) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL4038517 0.92 KDM4C (0.56) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL14441199 0.89 KDM4C (0.50) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL31616846 0.85 KDM4C (0.47) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL1558734 0.84 KDM4C (0.50) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL2911328 0.80 KDM4C (0.46) KDM4CSMN1; SMN2KDM4ESTAT3HIF1A
SCHEMBL27596057 0.80 KDM4C (0.43) KDM4CSMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL331416 0.79 KDM4C (0.40) KDM4CSMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL332684 0.79 KDM4C (0.40) KDM4CSMN1; SMN2ALDH1A1HSD17B10LMNA
SCHEMBL28192847 0.78 KDM4C (0.41) KDM4CSMN1; SMN2ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109627235-B High-energy insensitive energetic compound and synthesis method thereof 南京理工大学 2020-12-04 — — CN claimed
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 — — EP disclosed
EP-4493562-A1 TYK2 INHIBITORS AND USES THEREOF Alumis Inc. (US) 2025-01-22 — — EP disclosed
WO-2024226914-A2 MRGPRX2 ANTAGONISTS AND METHODS OF USE THEREOF SEPTERNA, INC. (US) 2024-10-31 — — WO disclosed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 — — US disclosed
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-20 — — US disclosed
WO-2023178235-A1 TYK2 INHIBITORS AND USES THEREOF ALUMIS INC. (US) 2023-09-21 — — WO disclosed
WO-2022212488-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-10-06 — — WO disclosed
WO-2022197734-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-09-22 — — WO disclosed
CN-109627235-B High-energy insensitive energetic compound and synthesis method thereof 南京理工大学 2020-12-04 — — CN disclosed
US-20050107412-A1 Pharmaceutically active compounds PFIZER INC 2005-05-19 — — US disclosed
US-20050043325-A1 Novel pharmaceuticals PFIZER INC 2005-02-24 — — US disclosed
US-6831074-B2 Inhibitors of cyclic guanosine 3',5'-monophosphate phosphodiesterases (cGMP PDES); for use in therapy of sexual disorders PFIZER INC 2004-12-14 — — US disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 — — WO disclosed
WO-2004096810-A1 5,7-DIAMINOPYRAZOLO`4,3-D!PYRIMIDINES USEFUL IN THE TREATMENT OF HYPERTENSION PFIZER LIMITED (GB) 2004-11-11 — — WO disclosed
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 — — EP disclosed
EP-1241170-A2 Pyrazolopyrimidine derivatives Pfizer Limited (GB) 2002-09-18 — — EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 — — US disclosed
EP-1123296-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2001-08-16 — — EP disclosed
WO-2000024745-A1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 2000-05-04 — — 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-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, ENTPD5 KDM4C 2974/4885SMN1; SMN2 1236/4885KDM4E 2642/4885
US-20050043325-A1 Novel pharmaceuticals ABCB11, PCSK9, SLC10A1 KDM4C 3970/4885SMN1; SMN2 2626/4885KDM4E 3392/4885
US-20050107412-A1 Pharmaceutically active compounds PDE5A, PDE2A, PDE3B KDM4C 2119/4885SMN1; SMN2 2441/4885KDM4E 1687/4885
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A KDM4C 3775/4885SMN1; SMN2 1647/4885KDM4E 2955/4885

“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.