SCHEMBL26829136

SCHEMBL26829136

CC(C)(C)c1ccnc(-c2ccccc2S)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CASP3 P42574 3/20 0.42
SENP8 Q96LD8 3/20 0.42
SENP7 Q9BQF6 3/20 0.42
SENP6 Q9GZR1 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
METAP2 P50579 1/20 0.38
KIF11 P52732 1/20 0.34
ALOX5AP P20292 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MEN1 O00255 1/20 0.32
NR2F2 P24468 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL18571685 0.81 CYP1A2 (0.45) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL23598649 0.81 KIF11 (0.36) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL26829137 0.81 KIF11 (0.36) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL23599062 0.80 KDM1A (0.48) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL26657406 0.80 NPC1 (0.39) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL21972038 0.79 KIF11 (0.40) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29373631 0.78 CCR1 (0.48) ALDH1A1METAP2KIF11ALOX5APKDM4C
SCHEMBL347025 0.78 CCR1 (0.48) ALDH1A1METAP2KIF11ALOX5APKDM4C
SCHEMBL29453375 0.78 CCR1 (0.48) ALDH1A1METAP2KIF11ALOX5APKDM4C
SCHEMBL28987610 0.78 KDM1A (0.46) NPC1RAB9AALDH1A1METAP2LMNA

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-11814401-B2 Luminescent material and electroluminescent display device using the same LG DISPLAY CO., LTD (KR) 2023-11-14 US disclosed
US-11814401-B2 Luminescent material and electroluminescent display device using the same LG DISPLAY CO., LTD (KR) 2023-11-14 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-11814401-B2 Luminescent material and electroluminescent display device using the same ALDH1A2, CD99, EPB41L2 NPC1 4328/4885RAB9A 920/4885CASP3 4800/4885

“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.