SCHEMBL104356

SCHEMBL104356

CC(C)c1ccc(C(=O)NC2CC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
P2RX7 Q99572 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
SLC6A12 P48065 1/20 0.46
TP53 P04637 1/20 0.46
EPHX1 P07099 1/20 0.46
NFKB1 P19838 1/20 0.46
EPHX2 P34913 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
BRD4 O60885 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45

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
SCHEMBL14924110 0.90 HPGD (0.51) HPGDNPC1RAB9ASLC6A12HRH3
SCHEMBL16098493 0.84 HPGD (0.54) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL16098495 0.84 HPGD (0.54) HPGDNPC1RAB9AP2RX7SMN1; SMN2
SCHEMBL104335 0.84 NPC1 (0.50) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL104350 0.84 TAS1R3 (0.59) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL19402297 0.83 NPC1 (0.67) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL16089007 0.83 NPC1 (0.67) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL30463145 0.83 NPC1 (0.67) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14847084 0.83 NPC1 (0.67) HPGDNPC1RAB9ASMN1; SMN2TP53
SCHEMBL104343 0.82 HRH3 (0.52) HPGDNPC1RAB9ASMN1; SMN2TP53

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 HPGD 4110/4885NPC1 1892/4885RAB9A 3030/4885

“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.