SCHEMBL2798210

SCHEMBL2798210

CC(C)(C)C1CC(N(CC(=O)Nc2ccccn2)C(=O)O)CCN1C(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.40
DPP4 P27487 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHIT1 Q13231 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UBE2M P61081 2/20 0.37
DCUN1D1 Q96GG9 2/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
TRPM8 Q7Z2W7 1/20 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
SCHEMBL5041734 0.83 LMNA (0.48) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2797796 0.79 LMNA (0.50) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2796871 0.76 KMT2A (0.41) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2798209 0.75 LMNA (0.44) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL2799018 0.75 AGTR2 (0.43) UBE2MDCUN1D1DRD2DRD4DRD3
SCHEMBL5040129 0.72 LMNA (0.55) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL9980979 0.71 UBE2M (0.31) UBE2MDCUN1D1TRPV1
SCHEMBL2794499 0.69 UBE2M (0.46) LMNAALDH1A1SMN1; SMN2UBE2MDCUN1D1
SCHEMBL2799356 0.68 UBE2M (0.34) LMNAUBE2MDCUN1D1
SCHEMBL9981736 0.68 ITGB3 (0.32) DRD2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 LMNA 4185/4885ALDH1A1 2925/4885DPP4 3387/4885

“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.