SCHEMBL10200841

SCHEMBL10200841

O=C(CCNNc1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MGLL Q99685 1/20 0.44
GAA P10253 1/20 0.44
HRH4 Q9H3N8 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL7773331 0.83 HTT (0.55) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL13323438 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL6940120 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL13139870 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2APOLB
Hydrochloric Acid SCHEMBL7773347 0.81 HTT (0.54) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL645952 0.80 HDAC3 (0.53) ALDH1A1MAPK1L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL7773309 0.80 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL1177836 0.79 ALDH1A1 (0.73) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL27688460 0.79 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2APOLB
SCHEMBL10433178 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 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 (2 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ALDH1A1 422/4885MAPK1 2371/4885L3MBTL1 2087/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B ALDH1A1 422/4885MAPK1 2371/4885L3MBTL1 2087/4885

“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.