SCHEMBL25752044

SCHEMBL25752044

Brc1ccc2sc(-c3ccc(I)cc3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.55
MAPT P10636 4/20 0.53
GAA P10253 4/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 1/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
HDAC6 Q9UBN7 2/20 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
SCHEMBL10989659 0.90 APP (0.61) APPMAPTGAAKDM4ENPC1
SCHEMBL14075967 0.87 APP (0.72) APPMAPTGAAKDM4ENPC1
SCHEMBL19984988 0.84 APP (0.77) APPMAPTGAAKDM4ENPC1
SCHEMBL595453 0.83 KDM4E (0.57) APPMAPTGAAKDM4ENPC1
SCHEMBL24295375 0.83 MAPT (0.59) APPMAPTGAAKDM4ENPC1
SCHEMBL17404434 0.79 APP (0.65) APPMAPTGAAKDM4ENPC1
SCHEMBL13864075 0.77 MAPT (0.63) APPMAPTGAAKDM4ENPC1
SCHEMBL24295460 0.76 KDM4E (0.51) APPMAPTGAAKDM4ENPC1
SCHEMBL30161903 0.76 APP (0.69) APPMAPTGAAKDM4ENPC1
SCHEMBL4515790 0.76 APP (0.69) APPMAPTGAAKDM4ENPC1

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-20230217814-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-07-06 US disclosed
US-20230217814-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2023-07-06 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-20230217814-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AOX1, XDH, PPOX APP 869/4885MAPT 768/4885GAA 944/4885

“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.