SCHEMBL13645840

SCHEMBL13645840

CC(=O)NC1CCCC(C(=O)N(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MME P08473 1/20 0.47
FASN P49327 3/20 0.46
ATM Q13315 2/20 0.42
BTK Q06187 1/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
TLR4 O00206 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
HPGD P15428 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
PDE7A Q13946 2/20 0.35

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
SCHEMBL7447161 0.86 MME (0.50) MMEFASNBTKHPGDEPHX2
SCHEMBL12993094 0.83 FASN (0.50) ALDH1A1KDM4EMMEFASNATM
SCHEMBL283829 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EATMBTKCA1
SCHEMBL283971 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EATMBTKCA1
SCHEMBL283828 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EATMBTKCA1
SCHEMBL283972 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EATMBTKCA1
SCHEMBL13645834 0.79 FASN (0.46) ALDH1A1KDM4EMMEFASNATM
SCHEMBL2370851 0.79 BTK (0.60) ALDH1A1KDM4EFASNATMBTK
SCHEMBL30816770 0.79 ALDH1A1 (0.52) ALDH1A1KDM4EFASNATMBTK
SCHEMBL18338347 0.79 BTK (0.60) ALDH1A1KDM4EFASNATMBTK

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 ALDH1A1 208/4885KDM4E 2344/4885MME 3255/4885

“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.