SCHEMBL178381

SCHEMBL178381

CC(C)c1cccc(NC(=O)[C@@H](N)CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.53
CA2 P00918 1/20 0.51
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SPHK1 Q9NYA1 2/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 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
Trifluoroacetic Acid SCHEMBL20572067 0.91 FADS1 (0.46) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL14467304 0.85 FNTA (0.53) SPHK1
SCHEMBL21348754 0.84 FADS1 (0.58) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL5950517 0.84 SMN1; SMN2 (0.61) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL26463535 0.82 HSD17B10 (0.56) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL13596684 0.82 HSD17B10 (0.56) MEN1KMT2AALDH1A1HSD17B10
SCHEMBL12569855 0.81 FADS1 (0.55) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL105378 0.81 SPHK1 (0.57) CA2MEN1KMT2ASPHK1LMNA
SCHEMBL20572066 0.79 FADS1 (0.44) FADS1CA2GRIN2DGRIN3BGRIN1
SCHEMBL21923175 0.78 FADS1 (0.55) FADS1CA2GRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 FADS1 4405/4885CA2 3206/4885GRIN2D 1381/4885

“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.