SCHEMBL7047435

SCHEMBL7047435

O=C(C[n+]1ccccc1Br)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.57
MEN1 O00255 6/20 0.57
ALDH1A1 P00352 3/20 0.57
POLB P06746 1/20 0.49
KDM4E B2RXH2 5/20 0.48
RECQL P46063 1/20 0.48
AHR P35869 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 0.47
PTPN1 P18031 2/20 0.47
GSK3B P49841 1/20 0.47
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALPG P10696 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL29669559 1.00 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
Bromide SCHEMBL11248275 0.98 KMT2A (0.59) KMT2AMEN1ALDH1A1POLBKDM4E
Ammonia Solution, Strong SCHEMBL28760024 0.98 KMT2A (0.55) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL23716888 0.90 KDM4E (0.62) KMT2AMEN1ALDH1A1KDM4EAHR
SCHEMBL23716901 0.83 KMT2A (0.71) KMT2AMEN1KDM4EAHRL3MBTL1
Iodide SCHEMBL28170350 0.80 KMT2A (0.47) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL23716895 0.79 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28555637 0.79 KMT2A (0.57) KMT2AMEN1ALDH1A1POLBKDM4E
Bromide SCHEMBL6228683 0.79 KMT2A (0.61) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL13394254 0.79 KMT2A (0.70) KMT2AMEN1ALDH1A1POLBKDM4E

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677267-A Anti-shedding agent, anti-shedding bird-repelling asphalt mixture and preparation method thereof 中国石油化工股份有限公司 2023-02-03 CN claimed
CN-114477835-A Anti-flying powder, anti-flying flame-retardant asphalt mixture and preparation method thereof 中国石油化工股份有限公司 2022-05-13 CN claimed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 US claimed
CN-115678296-B Asphalt stripping-resistant agent, and preparation method and application thereof 中国石油化工股份有限公司 2023-10-10 CN disclosed
CN-115678297-A Asphalt anti-stripping agent and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-115678296-A Asphalt anti-stripping agent and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-115678289-A Anti-shedding sulfur asphalt and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-115677267-A Anti-shedding agent, anti-shedding bird-repelling asphalt mixture and preparation method thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-115678199-A Anti-shedding agent and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-115678291-A Anti-shedding agent and preparation method and application thereof 中国石油化工股份有限公司 2023-02-03 CN disclosed
CN-114479365-B Anti-shedding agent and preparation method and application thereof 中国石油化工股份有限公司 2023-01-10 CN disclosed
CN-114479487-B Anti-shedding agent and preparation method and application thereof 中国石油化工股份有限公司 2023-01-10 CN disclosed
CN-114477835-B Anti-scattering agent, anti-scattering flame-retardant asphalt mixture and preparation method thereof 中国石油化工股份有限公司 2023-01-10 CN disclosed
CN-114477835-A Anti-flying powder, anti-flying flame-retardant asphalt mixture and preparation method thereof 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-114479487-A Anti-shedding agent and preparation method and application thereof 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-114479488-A Anti-stripping agent and preparation method and application thereof 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-114479365-A Anti-shedding agent and preparation method and application thereof 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-114479489-A Anti-stripping sulfur asphalt and preparation method and application thereof 中国石油化工股份有限公司 2022-05-13 CN disclosed
CN-112673102-A Preparation method of hairpin type single-stranded RNA molecule 东丽株式会社 2021-04-16 CN disclosed
US-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds SPONDULI SERVICES, LTD. (AU) 2003-04-03 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 (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-20030064954-A1 Cationic amphiphilic 1,4-dihydropyridine derivatives useful for delivery of nucleotide containing compounds ACIN1, DNA2, KPNA1 KMT2A 2995/4885MEN1 2117/4885ALDH1A1 2344/4885

“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.