SCHEMBL104345

SCHEMBL104345

CC(C)c1cccc(C(=O)NCCCN2CCN(C)CC2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
TP53BP1 Q12888 1/20 0.60
POLB P06746 1/20 0.58
RAD52 P43351 1/20 0.55
DRD2 P14416 5/20 0.53
DRD3 P35462 2/20 0.53
DRD4 P21917 3/20 0.53
SMYD2 Q9NRG4 1/20 0.53
MAPT P10636 2/20 0.52
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL12074931 0.85 LMNA (0.92) LMNARAD52DRD2DRD3MAPT
SCHEMBL12057347 0.84 TP53BP1 (0.57) LMNATP53BP1POLBSMYD2ALDH1A1
SCHEMBL178368 0.84 HSD17B10 (0.64) LMNAPOLBRAD52DRD2DRD3
SCHEMBL12760681 0.83 MAPT (0.64) LMNATP53BP1POLBRAD52DRD2
SCHEMBL16227646 0.82 ALDH1A1 (0.69) LMNADRD2DRD3DRD4MAPT
SCHEMBL104516 0.81 CYP2C19 (0.68) POLBALDH1A1SMN1; SMN2HTR1A
SCHEMBL10720723 0.80 HSD17B10 (0.68) LMNAPOLBRAD52DRD2DRD4
SCHEMBL23786264 0.79 LMNA (0.67) LMNASMYD2MAPTALDH1A1SMN1; SMN2
SCHEMBL10080947 0.78 TP53BP1 (0.70) LMNATP53BP1POLBMAPTALDH1A1
SCHEMBL18232445 0.78 TP53BP1 (0.70) LMNATP53BP1SMN1; SMN2GAA

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 LMNA 3669/4885TP53BP1 3916/4885POLB 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.