SCHEMBL22356374

SCHEMBL22356374

C=CC(=O)Oc1ccc(N(C)c2nc(N(C)c3ccc(O)cc3)nc(N(C)c3ccc(O)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
ELANE P08246 2/20 0.38
BCHE P06276 2/20 0.36
GFER P55789 1/20 0.36
RAB9A P51151 3/20 0.35
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
PDE6D O43924 1/20 0.34
BTK Q06187 1/20 0.34
NPC1 O15118 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL13839883 0.83 THRB (0.54) THRBELANEGFERRAB9ANPC1
SCHEMBL140760 0.79 THRB (0.56) THRBELANEBCHEGFERALDH5A1
SCHEMBL13777442 0.79 THRB (0.50) THRBELANEGFERRAB9APDE6D
SCHEMBL13777505 0.79 THRB (0.50) THRBELANEGFERRAB9APDE6D
Methoxymethane SCHEMBL9576531 0.78 THRB (0.56) THRBELANERAB9AALDH5A1ABAT
SCHEMBL12589727 0.78 NPC1 (0.45) GFERRAB9ANPC1MERTKMEN1
SCHEMBL22356388 0.77 BCHE (0.41) THRBBCHEBTKMEN1LMNA
SCHEMBL1263952 0.76 THRB (0.54) THRBGFERRAB9ANPC1MEN1
SCHEMBL13777536 0.76 ELANE (0.49) THRBELANERAB9ANPC1LMNA
SCHEMBL13777537 0.76 THRB (0.47) THRBBCHERAB9ATUBB4ATUBB

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-20200262798-A1 NOVEL TRIAZINE DERIVATIVE AND PHOTOSENSITIVE COMPOSITION COMPRISING SAME TREEEL CO., LTD (KR) 2020-08-20 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-20200262798-A1 NOVEL TRIAZINE DERIVATIVE AND PHOTOSENSITIVE COMPOSITION COMPRISING SAME TYR, CRY2, CRY1 THRB 3915/4885ELANE 2874/4885BCHE 4810/4885

“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.