SCHEMBL13645796

SCHEMBL13645796

Cc1cccc(OCCC2OCCCO2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
KDM4E B2RXH2 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
DRD3 P35462 1/20 0.43
ALDH2 P05091 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL21573594 0.85 L3MBTL1 (0.49) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL696146 0.82 FFAR1 (0.47) L3MBTL1KDM4ESMN1; SMN2FFAR1PPARG
SCHEMBL13645865 0.81 KDM4E (0.45) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL18320646 0.81 ALDH2 (0.45) KDM4ESMN1; SMN2ALDH2MAOAMAOB
SCHEMBL13092734 0.81 ALDH2 (0.46) L3MBTL1KMT2AMEN1SMN1; SMN2DRD2
SCHEMBL18320474 0.80 ACACB (0.45) L3MBTL1KDM4ESMN1; SMN2ALDH2MAOA
SCHEMBL9778909 0.79 L3MBTL1 (0.47) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL11941563 0.77 ALDH1A1 (0.52) L3MBTL1KDM4EKMT2ASMN1; SMN2TDP1
SCHEMBL13724658 0.76 L3MBTL1 (0.51) L3MBTL1KDM4EKMT2AMEN1SMN1; SMN2
SCHEMBL23450830 0.76 L3MBTL1 (0.48) L3MBTL1KDM4EKMT2AMEN1SMN1; 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
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 L3MBTL1 1326/4885KDM4E 2344/4885KMT2A 2048/4885

“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.