SCHEMBL19815041

SCHEMBL19815041

N#Cc1ccccc1-c1c[nH]c(=O)cc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GALR3 O60755 1/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.44
ESR2 Q92731 1/20 0.44
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
LRRK2 Q5S007 2/20 0.42
BIRC5 O15392 1/20 0.42
PIM1 P11309 1/20 0.42
PARP1 P09874 1/20 0.41
USP8 P40818 1/20 0.40
USP7 Q93009 1/20 0.40
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5556155 0.83 MCL1 (0.56) MCL1ALDH1A1HPGDKDM4EGALR3
SCHEMBL26986890 0.76 ESR2 (0.51) MCL1ALDH1A1HPGDKDM4EGALR3
SCHEMBL29977886 0.75 ESR2 (0.59) ALDH1A1HPGDKDM4EGALR3GAA
SCHEMBL565467 0.75 ESR2 (0.59) ALDH1A1HPGDKDM4EGALR3GAA
SCHEMBL29662886 0.75 ESR2 (0.69) ALDH1A1HPGDKDM4EGALR3GAA
SCHEMBL223 0.75 ESR2 (0.69) ALDH1A1HPGDKDM4EGALR3GAA
Water SCHEMBL3178714 0.75 ESR2 (0.69) ALDH1A1HPGDKDM4EGALR3GAA
Methane SCHEMBL8312669 0.73 ESR2 (0.67) ALDH1A1HPGDKDM4EGALR3GAA
Hydrochloric Acid SCHEMBL6985442 0.73 ESR2 (0.67) ALDH1A1HPGDKDM4EGALR3GAA
Bromide SCHEMBL27774142 0.73 ESR2 (0.67) ALDH1A1HPGDKDM4EGALR3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12466805-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2025-11-11 US disclosed
CN-109790146-B Pharmaceutical compounds 阿尔麦克探索有限公司 2022-08-23 CN disclosed
EP-3490982-B1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LTD (GB) 2022-04-20 EP disclosed
US-20220002264-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2022-01-06 US disclosed
US-11053213-B2 Pharmaceutical compounds ALMAC DISCOVERY LIMITED (GB) 2021-07-06 US disclosed
US-20190233394-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2019-08-01 US disclosed
EP-3490982-A1 PHARMACEUTICAL COMPOUNDS Almac Discovery Limited (GB) 2019-06-05 EP disclosed
WO-2018020242-A1 PHARMACEUTICAL COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2018-02-01 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-12466805-B2 Pharmaceutical compounds USP19, USP18, UBE2I MCL1 1520/4885ALDH1A1 621/4885HPGD 1317/4885
US-20190233394-A1 PHARMACEUTICAL COMPOUNDS USP19, USP18, UBE2I MCL1 1520/4885ALDH1A1 621/4885HPGD 1317/4885
US-20220002264-A1 PHARMACEUTICAL COMPOUNDS USP19, USP18, UBE2I MCL1 1520/4885ALDH1A1 621/4885HPGD 1317/4885
US-11053213-B2 Pharmaceutical compounds USP19, USP18, UBE2I MCL1 1520/4885ALDH1A1 621/4885HPGD 1317/4885

“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.