SCHEMBL13645815

SCHEMBL13645815

CC(=O)NC(C)C(=O)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
EPHX1 P07099 8/20 0.49
ATM Q13315 1/20 0.49
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
EPHX2 P34913 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL5720771 0.85 TSHR (0.51) KDM4EEPHX1ATMTSHRHTT
SCHEMBL15647903 0.83 SMN1; SMN2 (0.50) KDM4EEPHX1ATMTSHRHTT
SCHEMBL17154477 0.82 FPR2 (0.39) KDM4ETSHRHTTHSD17B10HPGD
SCHEMBL11430411 0.82 EPHX1 (0.46) KDM4EEPHX1ATMTSHRHTT
SCHEMBL13645855 0.82 SMN1; SMN2 (0.54) KDM4EEPHX1ATMEPHX2SMN1; SMN2
SCHEMBL23975704 0.81 TSHR (0.54) KDM4EEPHX1ATMTSHRHTT
SCHEMBL15648345 0.81 ATM (0.56) KDM4EEPHX1ATMTSHRHTT
SCHEMBL15584183 0.81 TSHR (0.54) KDM4EEPHX1ATMTSHRHTT
SCHEMBL15648344 0.81 ATM (0.56) KDM4EEPHX1ATMTSHRHTT
SCHEMBL25918019 0.81 TSHR (0.54) KDM4EEPHX1ATMTSHRHTT

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 2344/4885EPHX1 1989/4885ATM 2828/4885

“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.