SCHEMBL9328392

SCHEMBL9328392

O=C(O)C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
HIF1A Q16665 2/20 0.37
HPGD P15428 2/20 0.37
CA5A P35218 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
CPA1 P15085 5/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BLM P54132 1/20 0.33
HBB P68871 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9683817 0.83 CPA1 (0.34) ALDH1A1HIF1AHPGDCPA1TP53
SCHEMBL10462856 0.79 CPA1 (0.32) ALDH1A1CPA1MEN1KMT2AMAPT
SCHEMBL19283841 0.77 ALDH1A1 (0.39) ALDH1A1HIF1ACPA1LMNAMEN1
SCHEMBL27853893 0.77 ALDH1A1 (0.37) ALDH1A1CPA1KMT2AKDM4ETDP1
SCHEMBL27876382 0.74 CPA1 (0.37) ALDH1A1CPA1LMNAMEN1KMT2A
SCHEMBL19283824 0.74 CPA1 (0.41) ALDH1A1CPA1KMT2AKDM4ETDP1
SCHEMBL9243465 0.73 ALDH1A1 (0.37) ALDH1A1HIF1AHPGDCA5ACA5B
SCHEMBL5404644 0.71 ALDH1A1 (0.38) ALDH1A1HIF1AHPGDCA5ACA5B
SCHEMBL18081010 0.71 ALDH1A1 (0.35) ALDH1A1HIF1AHPGDCA5ACA5B
SCHEMBL30956504 0.71 ALDH1A1 (0.35) ALDH1A1HIF1AHPGDCA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114477481-A Degradable scale and corrosion inhibitor for phosphorus-containing reclaimed water and preparation method thereof 河北省科学院能源研究所 2022-05-13 CN claimed
CN-105884694-A Preparing method for ticagrelor intermediate 4,6-dichloro-2-tri-sulfydryl-5-aminopyrimidine 上海复星医药产业发展有限公司 2016-08-24 CN claimed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN claimed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN claimed
US-20240140933-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER HOFFMANN-LA ROCHE INC. (US) 2024-05-02 US disclosed
EP-4341252-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. Hoffmann-La Roche AG (CH) 2024-03-27 EP disclosed
CN-117088818-A Synthesis method of 4, 6-dichloro-2-propylthio-5-aminopyrimidine 河北博伦特药业有限公司 2023-11-21 CN disclosed
US-20230130031-A1 Thermoplastic Polyurethane Compositions Comprising Nitro-Substituted Polyester Diols NOVOLOOP INC (US) 2023-04-27 US disclosed
CN-115843302-A Thermoplastic polyurethane compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 CN disclosed
CN-115843300-A Polymerizable compositions comprising nitro-substituted polyester diols 诺弗洛普有限公司 2023-03-24 CN disclosed
EP-4118131-A1 THERMOPLASTIC POLYURETHANE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS Novoloop, Inc. (US) 2023-01-18 EP disclosed
EP-4118126-A1 POLYMERIZABLE COMPOSITIONS COMPRISING NITRO-SUBSTITUTED POLYESTER DIOLS Novoloop, Inc. (US) 2023-01-18 EP disclosed
CN-105645604-A Low-phosphorus scale and corrosion inhibitor 潘福昆 2016-06-08 CN disclosed
CN-100456398-C Electrolyte for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORP (JP) 2009-01-28 CN disclosed
CN-1529892-A Electrolyte for driving electrolytic capacitor and electrolytic capacitor 如碧空株式会社 2004-09-15 CN disclosed
EP-0354778-B1 Method for production of dimeric alkaloids MITSUI PETROCHEMICAL IND (JP) 1994-03-16 EP disclosed
US-5037977-A Method for production of dimeric alkaloids MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1991-08-06 US disclosed
EP-0354778-A2 Method for production of dimeric alkaloids MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-02-14 EP disclosed
US-4503222-A INSECTICIDES SHELL OIL COMPANY (US) 1985-03-05 US disclosed
EP-0114705-A1 Pesticidal nitromethane derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-08-01 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 (1 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-20240140933-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER IL1B, IL1A, IL1R1 ALDH1A1 302/4885HIF1A 1103/4885HPGD 893/4885

“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.