SCHEMBL4748764

SCHEMBL4748764

CC(C)(C)OC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 2/20 0.50
RAB9A P51151 2/20 0.50
CTSD P07339 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL31150407 1.00 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2KMT2ANPC1GAA
SCHEMBL27916053 0.86 TSHR (0.62) ALDH1A1SMN1; SMN2KMT2ANPC1GAA
SCHEMBL1185557 0.86 GPR35 (0.53) ALDH1A1KMT2ACTSDNPSR1HTT
SCHEMBL31187277 0.84 TSHR (0.45) ALDH1A1SMN1; SMN2KMT2ANPC1GAA
SCHEMBL18190808 0.84 THRB (0.46) ALDH1A1KMT2ACTSDNPSR1HTT
SCHEMBL28109747 0.84 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2KMT2ANPC1GAA
SCHEMBL1185665 0.83 TSHR (0.48) ALDH1A1SMN1; SMN2KMT2ANPC1GAA
SCHEMBL26343323 0.82 CTSD (0.47) ALDH1A1SMN1; SMN2KMT2ANPC1GAA
SCHEMBL16396659 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CTSDNPSR1HTT
SCHEMBL8365480 0.81 ABCB1 (0.49) ALDH1A1KMT2AMAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109232648-A A kind of polypeptide condensing agent containing phosphamide and preparation method thereof for polypeptide drugs synthesis 重庆科脉生物化工有限公司 2019-01-18 CN claimed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 US disclosed
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed
CN-112094264-A Hepatitis B core protein modulators 组装生物科学股份有限公司 2020-12-18 CN disclosed
CN-108347943-B Hepatitis B core protein modulators 组装生物科学股份有限公司 2020-07-10 CN disclosed
US-6093731-A Isoquinolines PFIZER INC. 2000-07-25 US disclosed
WO-2000005214-A2 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER INC. (US) 2000-02-03 WO disclosed
US-4782158-A CEPHEM ANTIBIOTIC INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 US disclosed
US-4599426-A INTERMEDIATES FOR CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO. (JP) 1986-07-08 US disclosed
EP-0059486-B1 NEW STARTING COMPOUNDS FOR PREPARING CEPHEM COMPOUNDS AND PROCESSES FOR THEIR PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 EP disclosed
US-4506076-A MICROBIOCIDES, CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-19 US disclosed
EP-0009548-B1 CEPHALOSPORIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-16 EP disclosed
EP-0059486-A1 New starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-08 EP disclosed
US-4288435-A 3,7-Disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 US disclosed
EP-0009548-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-16 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 (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-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885KMT2A 3544/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885KMT2A 3544/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885KMT2A 3544/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885KMT2A 3544/4885

“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.