SCHEMBL13704136

SCHEMBL13704136

CC1(C)CC(=O)C2=C(C1)Nc1cc(CO)ccc1NC2c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.43
CASP1 P29466 2/20 0.43
CASP7 P55210 2/20 0.43
TP53 P04637 1/20 0.43
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL13704133 0.96 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13704154 0.90 MEN1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4297351 0.85 MEN1 (0.62) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4294097 0.84 MEN1 (0.77) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL13704131 0.84 MEN1 (0.59) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4287651 0.83 MEN1 (0.60) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL13704144 0.83 MEN1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4296155 0.83 KMT2A (0.59) MEN1KMT2AL3MBTL1ALDH1A1NPC1
SCHEMBL13704152 0.82 MEN1 (0.56) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL13704082 0.82 MEN1 (0.68) MEN1KMT2AL3MBTL1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 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-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 MEN1 4829/4885KMT2A 1440/4885L3MBTL1 4766/4885

“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.