SCHEMBL3168795

SCHEMBL3168795

COC(=O)CCCOc1c[c]ccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE3B Q13370 3/20 0.41
PDE3A Q14432 3/20 0.41
P2RY12 Q9H244 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE2A O00408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3170001 0.85 BRD4 (0.50) MAPTLTA4HALDH1A1TSHRL3MBTL1
SCHEMBL3160834 0.84 HDAC8 (0.37) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL3169923 0.83 PTGS2 (0.44) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL6314345 0.83 FFAR4 (0.50) TSHR
SCHEMBL7003433 0.83 L3MBTL1 (0.42) MAPTKMT2AHPGDLTA4HALDH1A1
SCHEMBL3170416 0.81 MAPT (0.48) MAPTKMT2AHPGDMEN1LTA4H
SCHEMBL3170270 0.81 PDK2 (0.46) MAPTLTA4HTSHRLMNAHSD17B10
SCHEMBL6328945 0.80 HPGD (0.60) MAPTKMT2AHPGDMEN1LTA4H
SCHEMBL3154717 0.78 L3MBTL1 (0.68) KMT2AHPGDMEN1ALDH1A1TSHR
Methylamine SCHEMBL6594130 0.78 ALDH1A1 (0.58) MAPTKMT2AHPGDMEN1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809570-B [1,2,4] triazolo [1,5-a ] pyrimidin-2-ylurea derivatives and uses thereof NIPPON KAYAKU KK 2011-06-22 CN disclosed
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 MAPT 4307/4885KMT2A 2048/4885HPGD 2052/4885

“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.