SCHEMBL21704789

SCHEMBL21704789

O=C(O)c1ccccc1Sc1csc2cc(Br)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
PKM P14618 2/20 0.41
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL4064890 0.83 POLB (0.50) KDM4ETDP1ALDH1A1RXFP1POLB
SCHEMBL498796 0.78 TBXAS1 (0.47) KDM4ETDP1ALDH1A1RXFP1MEN1
SCHEMBL4618325 0.75 ALDH1A1 (0.44) KDM4ETDP1ALDH1A1RXFP1MEN1
SCHEMBL21704975 0.75 HTT (0.46) KDM4ETDP1ALDH1A1RXFP1MEN1
SCHEMBL19176343 0.74 KDM4E (0.52) KDM4ETDP1ALDH1A1RXFP1POLB
SCHEMBL3998999 0.74 KDM4E (0.71) KDM4ETDP1ALDH1A1RXFP1MEN1
SCHEMBL11013368 0.74 SIRT1 (0.51) KDM4ETDP1ALDH1A1MEN1KMT2A
SCHEMBL1482567 0.73 POLB (0.74) KDM4ETDP1ALDH1A1RXFP1POLB
SCHEMBL29888792 0.73 POLB (0.74) KDM4ETDP1ALDH1A1RXFP1POLB
SCHEMBL8584887 0.73 CYP2A6 (0.47) KDM4ERXFP1MEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332474-B2 Compound and organic light-emission device LG DISPLAY CO., LTD. (KR) 2022-05-17 US disclosed
US-20200048273-A1 COMPOUND AND ORGANIC LIGHT-EMISSION DEVICE LG DISPLAY CO., LTD. (KR) 2020-02-13 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 (2 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-20200048273-A1 COMPOUND AND ORGANIC LIGHT-EMISSION DEVICE TRPC4, TRPA1, TRPC1 KDM4E 1601/4885TDP1 4585/4885ALDH1A1 721/4885
US-11332474-B2 Compound and organic light-emission device TRPC4, TRPA1, TRPC1 KDM4E 1601/4885TDP1 4585/4885ALDH1A1 721/4885

“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.