SCHEMBL178368

SCHEMBL178368

Cc1cccc(C(=O)NCCCN2CCN(C)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
RAD52 P43351 2/20 0.61
POLB P06746 2/20 0.61
SMYD2 Q9NRG4 2/20 0.58
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
DRD2 P14416 2/20 0.54
GFER P55789 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
DRD3 P35462 1/20 0.54
DRD4 P21917 1/20 0.53

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
SCHEMBL10720723 0.96 HSD17B10 (0.68) HSD17B10RAD52POLBSMYD2SLC6A2
SCHEMBL5482155 0.90 SMYD2 (0.68) HSD17B10POLBSMYD2MAPTMEN1
SCHEMBL10192030 0.88 ALDH1A1 (0.70) HSD17B10POLBALDH1A1SMN1; SMN2GAA
SCHEMBL12760681 0.86 MAPT (0.64) RAD52POLBSMYD2LMNAMAPT
SCHEMBL16227646 0.85 ALDH1A1 (0.69) LMNAMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL104345 0.84 LMNA (0.67) RAD52POLBSMYD2SLC6A2SLC6A4
SCHEMBL178534 0.84 KMT2A (0.71) RAD52SLC6A2SLC6A4LMNAMAPT
SCHEMBL280088 0.83 HSD17B10 (0.72) HSD17B10RAD52POLBSMYD2ALDH1A1
SCHEMBL842621 0.82 HSD17B10 (0.70) HSD17B10POLBSMYD2SMN1; SMN2MEN1
SCHEMBL13778294 0.81 PHF13 (0.56) RAD52POLBSLC6A2SLC6A4LMNA

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 HSD17B10 1704/4885RAD52 1823/4885POLB 3674/4885

“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.