SCHEMBL3169944

SCHEMBL3169944

[c]1cccc(OCCC2OCCO2)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALDH2 P05091 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
HTR1A P08908 3/20 0.33
ACACB O00763 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADRA1D P25100 1/20 0.31
ALDH1A1 P00352 2/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
ACACA Q13085 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL3169800 0.94 ALDH2 (0.41) MAOAMAOBALDH2TAAR1ACACB
SCHEMBL3164770 0.84 TDP1 (0.40) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL3170432 0.80 ALDH2 (0.35) MAOAMAOBALDH2TAAR1HTR1A
SCHEMBL3174283 0.79 NFE2L2 (0.38) MAOAMAOBTAAR1
SCHEMBL919801 0.79 NFE2L2 (0.42) TAAR1ACACBHPGD
SCHEMBL5704638 0.77 KCNA3 (0.42) MAOAMAOBTAAR1TDP1ALDH1A1
SCHEMBL28078695 0.77 GRM5 (0.35) MAOAMAOBALDH1A1HPGDHTT
SCHEMBL27813747 0.75 NFE2L2 (0.38) TAAR1ACACBHPGDHTTACACA
SCHEMBL920753 0.74 KCNA3 (0.37) TAAR1ALDH1A1RECQL
SCHEMBL4072387 0.74 ALDH1A1 (0.57) TAAR1ALDH1A1RECQLCYP3A4SMN1; SMN2

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 MAOA 3681/4885MAOB 3803/4885ALDH2 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.