SCHEMBL26043005

SCHEMBL26043005

COc1cccc(C)c1C1=NC2=NC(N(c3ccccc3)c3ccccc3)=NC3=NC(c4c(OC)cccc4OC)=NC(=N1)N32

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.32
TP53 P04637 2/20 0.32
NPC1 O15118 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
SYK P43405 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RORC P51449 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL26044051 0.94 HPGD (0.35) HPGDTP53NPC1NFKB1RAB9A
SCHEMBL26043021 0.88 MEN1 (0.31) SMN1; SMN2MAPTKMT2AMAPK1
SCHEMBL26043018 0.82 KCNN4 (0.36) HPGDSMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL26043057 0.82 KCNN4 (0.36) HPGDSMN1; SMN2ALDH1A1MAPTTSHR
SCHEMBL26044334 0.81 MEN1 (0.39) KMT2ATSHR
SCHEMBL26043030 0.78 MEN1 (0.36) KMT2ATSHR
SCHEMBL26043032 0.77 SMN1; SMN2 (0.31) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL26043011 0.77 ACHE (0.33) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL26043053 0.77 ACHE (0.33) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL26043052 0.75 SMN1; SMN2 (0.36) HPGDTP53NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 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-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 HPGD 4127/4885TP53 2712/4885NPC1 1664/4885

“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.