SCHEMBL25752042

SCHEMBL25752042

Brc1ccc2oc(-c3cccc(I)c3)nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.62
MAPT P10636 9/20 0.62
SMN1; SMN2 Q16637 8/20 0.62
KDM4E B2RXH2 7/20 0.62
NPC1 O15118 7/20 0.62
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
TP53 P04637 3/20 0.62
HSD17B10 Q99714 3/20 0.62
HDAC6 Q9UBN7 4/20 0.54
ALDH1A1 P00352 4/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
HPGD P15428 4/20 0.47
CASP3 P42574 3/20 0.47
SENP7 Q9BQF6 3/20 0.47
SENP6 Q9GZR1 3/20 0.47
SENP8 Q96LD8 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL25752031 0.83 HDAC6 (0.55) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL29407356 0.83 SMN1; SMN2 (0.66) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL9966868 0.83 SMN1; SMN2 (0.66) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL24295382 0.83 RAB9A (0.47) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL27188304 0.82 SMN1; SMN2 (0.62) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL28266910 0.81 ALDH1A1 (0.55) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL25498923 0.80 SMN1; SMN2 (0.62) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL10173054 0.79 HDAC6 (0.64) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL34460049 0.79 RAB9A (0.58) RAB9AMAPTSMN1; SMN2KDM4ENPC1
SCHEMBL4054520 0.79 SMN1; SMN2 (0.74) RAB9AMAPTSMN1; SMN2KDM4ENPC1

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 RAB9A 3117/4885MAPT 768/4885SMN1; SMN2 4240/4885

“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.