SCHEMBL6836941

SCHEMBL6836941

On1c(-c2ccc3c(c2)OCCO3)nc2c1-c1ccccc1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
CD274 Q9NZQ7 4/20 0.38
PDCD1 Q15116 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
NR0B1 P51843 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CYP11B2 P19099 1/20 0.38
STING1 Q86WV6 3/20 0.38

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
SCHEMBL6831686 0.81 KDM4E (0.48) ALDH1A1SMN1; SMN2KMT2ANPC1MAPT
SCHEMBL6831684 0.77 NPY5R (0.45) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6836938 0.74 NPY5R (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1CYP11B2
SCHEMBL6567123 0.73 NPY5R (0.41) ALDH1A1CD274SMN1; SMN2KMT2ANPC1
SCHEMBL6834554 0.72 NPY5R (0.47) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL6831683 0.71 NPY5R (0.44) ALDH1A1SMN1; SMN2KMT2ANPC1MAPT
SCHEMBL6834506 0.70 NPY5R (0.48) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6835176 0.67 NPY5R (0.51) ALDH1A1KMT2AMAPTMEN1KDM4E
SCHEMBL6835192 0.65 NPY5R (0.50) ALDH1A1CYP11B2
SCHEMBL6835207 0.65 CYP2A6 (0.35) ALDH1A1KMT2AMAPTMEN1KDM4E

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-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 ALDH1A1 784/4885CD274 4281/4885PDCD1 4078/4885

“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.