SCHEMBL10294172

SCHEMBL10294172

CCS(=O)(=O)Nc1cccc(NC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.50
BRD4 O60885 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA1A P35348 1/20 0.46
MAPT P10636 1/20 0.45
BRDT Q58F21 1/20 0.45
AURKA O14965 1/20 0.43
KDR P35968 1/20 0.43
AURKB Q96GD4 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KIF11 P52732 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL13001968 0.81 HPGD (0.53) NR3C2BRD4HPGDLMNASMN1; SMN2
SCHEMBL10294715 0.81 HPGD (0.62) NR3C2HPGDLMNASMN1; SMN2HTT
SCHEMBL8274370 0.81 NR3C2 (0.57) NR3C2BRD4HPGDLMNASMN1; SMN2
SCHEMBL13884318 0.80 ALDH1A1 (0.42) LMNASMN1; SMN2HTTMAPTNPC1
SCHEMBL10294867 0.80 HPGD (0.47) NR3C2BRD4HPGDLMNASMN1; SMN2
SCHEMBL18649047 0.78 NR3C2 (0.54) NR3C2BRD4HPGDLMNASMN1; SMN2
SCHEMBL20782198 0.78 ADRA2A (0.52) NR3C2BRD4HPGDLMNASMN1; SMN2
SCHEMBL10294181 0.78 HTR6 (0.59) HPGDLMNASMN1; SMN2
SCHEMBL10191952 0.78 HPGD (0.53) BRD4HPGDLMNASMN1; SMN2HTT
SCHEMBL10294174 0.77 NR3C2 (0.45) NR3C2BRD4HPGDLMNASMN1; 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 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 NR3C2 55/4885BRD4 1262/4885HPGD 1190/4885

“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.