SCHEMBL13645865

SCHEMBL13645865

Cc1ccc(OCCC2OCCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH2 P05091 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 2/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
PDK1 Q15118 1/20 0.40

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
SCHEMBL8810213 0.83 NFE2L2 (0.57) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL8468617 0.83 PSMB1 (0.44) KDM4EALDH2MAOAMAOBMEN1
SCHEMBL13092734 0.83 ALDH2 (0.46) L3MBTL1ALDH2MAOAMAOBMEN1
SCHEMBL13645796 0.81 L3MBTL1 (0.49) KDM4EL3MBTL1ALDH2MAOAMAOB
SCHEMBL8845184 0.81 CHRNB2 (0.45) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL3170367 0.80 ALDH2 (0.41) L3MBTL1ALDH2MAOAMAOBMEN1
SCHEMBL8844957 0.80 ALDH1A1 (0.47) KDM4EALDH2MAOAMAOBMEN1
SCHEMBL9778697 0.79 KDM4E (0.44) KDM4EL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL16373427 0.77 DRD2 (0.46) KDM4EL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL8807613 0.77 ALDH1A1 (0.49) KDM4EL3MBTL1SMN1; SMN2DRD2DRD4

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
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-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
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

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 KDM4E 2344/4885L3MBTL1 1326/4885ALDH2 1828/4885

“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.