SCHEMBL178415

SCHEMBL178415

CC(C)c1cccc(NC(=O)N2CCN(C)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.65
MAPT P10636 3/20 0.64
TRPV1 Q8NER1 1/20 0.55
PANK3 Q9H999 2/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
FAAH O00519 1/20 0.52
RAB9A P51151 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
HCRTR1 O43613 1/20 0.51
USP2 O75604 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL2399070 0.85 POLB (0.61) KDM4EMAPTTRPV1PANK3POLB
SCHEMBL178526 0.85 NPC1 (0.71) KDM4EMAPTTRPV1ALDH1A1SMN1; SMN2
SCHEMBL5997220 0.83 KDM4E (0.58) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL104605 0.82 NPC1 (0.71) KDM4EMAPTTRPV1PANK3ALDH1A1
SCHEMBL4307000 0.81 ALDH1A1 (0.78) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4308463 0.80 KMT2A (0.76) KDM4EMAPTPANK3ALDH1A1SMN1; SMN2
SCHEMBL3647856 0.80 KDM4E (0.68) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL21336627 0.80 KDM4E (0.68) KDM4EMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL4310718 0.80 KDM4E (0.68) KDM4EMAPTTRPV1POLBALDH1A1
SCHEMBL4311734 0.80 KDM4E (0.68) KDM4EMAPTTRPV1POLBALDH1A1

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 KDM4E 2800/4885MAPT 4685/4885TRPV1 3386/4885

“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.