SCHEMBL4847155

SCHEMBL4847155

c1ccc(-c2nc(-c3ccc(-c4ccc(-c5c[nH]c(-c6ccccc6)n5)cc4)cc3)c[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.43
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
RAB9A P51151 5/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GSK3B P49841 1/20 0.41
MTOR P42345 1/20 0.41
ADK P55263 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL7139559 1.00 HPGDS (0.43) HPGDSMEN1KMT2ARAB9AAKT1
SCHEMBL528246 0.96 MEN1 (0.46) HPGDSMEN1KMT2ARAB9AAKT1
SCHEMBL17280181 0.90 MEN1 (0.43) MEN1KMT2ARAB9AAKT1AKT2
SCHEMBL7143721 0.89 DGAT1 (0.51) HPGDSMEN1KMT2ARAB9ANPC1
SCHEMBL7144815 0.89 NR1H2 (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL3136907 0.89 NR1H2 (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7141855 0.89 KDM4E (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7143264 0.89 MEN1 (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7139439 0.89 DGAT1 (0.51) HPGDSMEN1KMT2ARAB9ANPC1
SCHEMBL3140919 0.89 NR1H2 (0.51) MEN1KMT2ARAB9ANPC1ALDH1A1

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-7388100-B2 Tertiary amine compounds NISHIO TETSUYA 2008-06-17 US disclosed
US-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same NISHIO TETSUYA 2006-07-06 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-20060145145-A1 Tertiary amine compounds, organic semiconductor devices using the same and organic electroluminescence devices using the same PIEZO1, YES1, SAT1 HPGDS 4625/4885MEN1 1103/4885KMT2A 1200/4885

“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.