SCHEMBL3160976

SCHEMBL3160976

CC(=O)N(C)CCCOc1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.47
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTA4H P09960 1/20 0.40
MTNR1A P48039 7/20 0.39
MTNR1B P49286 7/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37

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
SCHEMBL3161388 0.93 PDK2 (0.46) PDK2KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL3174370 0.82 PDK2 (0.45) PDK2KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL188371 0.82 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2LTA4HCHRNB2
SCHEMBL3170270 0.78 PDK2 (0.46) PDK2SMN1; SMN2LTA4H
SCHEMBL1419119 0.77 LTA4H (0.54) KDM4EALDH1A1LTA4HCHRNB2CHRNA4
SCHEMBL3154702 0.77 PDK2 (0.45) PDK2SMN1; SMN2LTA4H
SCHEMBL9851861 0.76 ALDH1A1 (0.51) KDM4EALDH1A1SMN1; SMN2LTA4H
SCHEMBL3161487 0.76 THRB (0.41) KDM4EALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL1283116 0.76 KDM4E (0.49) KDM4E
SCHEMBL3154717 0.75 L3MBTL1 (0.68) PDK2ALDH1A1MTNR1AMTNR1BL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630165-B1 [1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF NIPPON KAYAKU KK (JP) 2010-03-31 EP disclosed
US-7598244-B2 [1,2,4]triazolo[1,5,a]pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-10-06 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
EP-1630165-A1 [1,2,4 ]TRIAZOLO [1,5-A]PYRIMIDIN-2-YLUREA DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2006-03-01 EP 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 PDK2 1705/4885KDM4E 2344/4885ALDH1A1 208/4885

“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.