SCHEMBL3170367

SCHEMBL3170367

[c]1ccc(OCCC2OCCCO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HRH3 Q9Y5N1 3/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NFE2L2 Q16236 1/20 0.35
HPGD P15428 4/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3170432 0.93 ALDH2 (0.35) ALDH2MAOAMAOBHRH3KCNH2
SCHEMBL3169800 0.81 ALDH2 (0.41) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL8810213 0.80 NFE2L2 (0.57) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL13645865 0.80 KDM4E (0.45) ALDH2MAOAMAOBHRH3MEN1
SCHEMBL8845184 0.78 CHRNB2 (0.45) ALDH2MAOAMAOBHRH3KCNH2
SCHEMBL8844957 0.76 ALDH1A1 (0.47) ALDH2MAOAMAOBMEN1KMT2A
SCHEMBL8468617 0.76 PSMB1 (0.44) ALDH2MAOAMAOBHRH3MEN1
SCHEMBL3163713 0.75 TDP1 (0.40) HRH3MEN1KMT2AHPGDALDH1A1
SCHEMBL3169944 0.74 MAOA (0.35) ALDH2MAOAMAOBHPGDHTT
SCHEMBL8807613 0.74 ALDH1A1 (0.49) HRH3KCNH2HTTALDH1A1TDP1

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 ALDH2 1828/4885MAOA 3681/4885MAOB 3803/4885

“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.