SCHEMBL30768170

SCHEMBL30768170

COc1nccc2ccc(Nc3ccc(CNc4ncc(C(C)C(=O)O)cn4)cc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
ACACB O00763 4/20 0.37
EZH2 Q15910 1/20 0.37
VNN1 O95497 5/20 0.36
PTK2 Q05397 1/20 0.35
BRAF P15056 1/20 0.35
MAPT P10636 2/20 0.34
SLC2A1 P11166 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FFAR1 O14842 1/20 0.33
PIM1 P11309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL32661546 0.93 ACACB (0.37) MEN1NPC1RAB9AKMT2AACACB
SCHEMBL29137720 0.85 EZH2 (0.55) MEN1NPC1RAB9AKMT2AACACB
SCHEMBL29137721 0.78 CAMK2D (0.40) VNN1BRAFHDAC3HDAC1HDAC6
SCHEMBL32661517 0.75 AURKA (0.34) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL32662613 0.74 BRD4 (0.42) MAPTNPSR1L3MBTL1HDAC1PIM1
SCHEMBL31563705 0.74 BRD4 (0.42) MAPTNPSR1L3MBTL1HDAC1PIM1
SCHEMBL29137722 0.72 BRAF (0.39) VNN1BRAFHDAC3HDAC1HDAC6
SCHEMBL29137730 0.72 ROCK2 (0.40) MEN1NPC1RAB9AKMT2AMAPT
SCHEMBL30670498 0.72 KDR (0.50) MEN1NPC1RAB9AKMT2ABRAF
SCHEMBL30768169 0.70 NPC1 (0.41) MEN1NPC1RAB9AKMT2ABRAF

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-20260015352-A1 METHYLTRANSFERASE INHIBITOR AND USE THEREOF CYTOSINLAB THERAPEUTICS CO LTD (CN) 2026-01-15 US disclosed
WO-2024012461-A1 METHYLTRANSFERASE INHIBITOR AND USE THEREOF 上海赛岚生物科技有限公司 2024-01-18 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 (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-20260015352-A1 METHYLTRANSFERASE INHIBITOR AND USE THEREOF EZH2, DOT1L, EHMT1 MEN1 2466/4885NPC1 1396/4885RAB9A 2755/4885

“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.