SCHEMBL13645924

SCHEMBL13645924

CC(=O)NC(C)CCCN(C)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
ACACB O00763 7/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
LMNA P02545 1/20 0.34
MTNR1A P48039 6/20 0.33
MTNR1B P49286 6/20 0.33
ALDH1A1 P00352 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL13645921 0.89 ACACB (0.36) TRPV1ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL12506705 0.85 PAOX (0.38) TRPV1ACACBLMNAMTNR1AMTNR1B
SCHEMBL13645923 0.79 CTSK (0.42) TRPV1ACACBLMNAHDAC1HDAC2
SCHEMBL17789614 0.78 NOS3 (0.39) NOS3NOS1NOS2LMNAALDH1A1
SCHEMBL12507020 0.78 LMNA (0.52) ACACBLMNAALDH1A1
SCHEMBL21513624 0.76 ACACB (0.37) ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL13780653 0.76 ACACB (0.37) TRPV1ACACBMTNR1AMTNR1BALDH1A1
SCHEMBL20149709 0.76 CHRNB2 (0.48) TRPV1ACACBMTNR1AMTNR1B
SCHEMBL24807493 0.75 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL15830066 0.74 CHRM1 (0.31)

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 TRPV1 524/4885ACACB 4200/4885NOS3 1386/4885

“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.