SCHEMBL13645927

SCHEMBL13645927

COC(C)(C)CCCC(C)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPV1 Q8NER1 1/20 0.38
MTNR1A P48039 6/20 0.36
MTNR1B P49286 6/20 0.36
ACACB O00763 4/20 0.34
PSEN1 P49768 6/20 0.34
PSEN2 P49810 6/20 0.34
APH1B Q8WW43 6/20 0.34
NCSTN Q92542 6/20 0.34
APH1A Q96BI3 6/20 0.34
PSENEN Q9NZ42 6/20 0.34

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
SCHEMBL10577149 0.79 KCNH3 (0.38) ALDH1A1LMNATRPV1MTNR1AMTNR1B
SCHEMBL2692582 0.76 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4TDP1ACACB
SCHEMBL13645958 0.76 ACACB (0.47) ALDH1A1TRPV1MTNR1AMTNR1BACACB
Hydrochloric Acid SCHEMBL31047961 0.76 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4TDP1
SCHEMBL12124481 0.74 TAS1R3 (0.38) ALDH1A1LMNATRPV1MTNR1AMTNR1B
SCHEMBL16897681 0.74 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4TDP1ACACB
SCHEMBL13645884 0.74 ACACB (0.46) ALDH1A1TRPV1MTNR1AMTNR1BACACB
SCHEMBL13645963 0.73 ACACB (0.36) ALDH1A1TRPV1MTNR1AMTNR1BACACB
SCHEMBL2760205 0.72 TAS1R3 (0.50) TRPV1ACACB
SCHEMBL6451931 0.72 TRPV1 (0.40) ALDH1A1TRPV1MTNR1AMTNR1BACACB

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 208/4885LMNA 4876/4885CYP3A4 1704/4885

“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.