SCHEMBL10294705

SCHEMBL10294705

CCCNC(=O)c1cccc(OC(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 3/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RAF1 P04049 1/20 0.50
KMT2A Q03164 2/20 0.49
ROCK2 O75116 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TP53BP1 Q12888 1/20 0.48
ERN1 O75460 1/20 0.47
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DDR1 Q08345 2/20 0.47
TRPV1 Q8NER1 1/20 0.47
NAMPT P43490 1/20 0.46

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
SCHEMBL10294744 0.88 SMN1; SMN2 (0.51) SMN1; SMN2GAAMAPTRAF1DDR1
SCHEMBL13753114 0.87 ALDH1A1 (0.64) L3MBTL1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL21538013 0.86 ALDH1A1 (0.46) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL25469569 0.84 TRPV1 (0.47) ALDH1A1GAAMAPTKMT2ANPC1
SCHEMBL6361446 0.84 GAA (0.73) L3MBTL1ALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL13753863 0.82 L3MBTL1 (0.63) L3MBTL1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL10294124 0.82 NPC1 (0.54) ALDH1A1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL1490845 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL14336245 0.81 ALDH1A1 (0.64) L3MBTL1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL8386465 0.81 L3MBTL1 (0.61) L3MBTL1ALDH1A1POLBSMN1; SMN2GAA

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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 L3MBTL1 4542/4885ALDH1A1 213/4885POLB 3271/4885

“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.