SCHEMBL104773

SCHEMBL104773

CC(C)c1ccc(C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.84
NPC1 O15118 9/20 0.84
SMN1; SMN2 Q16637 5/20 0.84
HDAC2 Q92769 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
MAPT P10636 3/20 0.67
KDM4E B2RXH2 1/20 0.67
USP2 O75604 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
EPHX1 P07099 1/20 0.66
MLYCD O95822 2/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL14029008 0.94 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL14020485 0.90 NPC1 (0.92) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL24649289 0.87 MAPT (0.70) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL25137055 0.85 MAPT (0.68) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL104431 0.84 RAB9A (0.75) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL14456669 0.84 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL19226497 0.84 LMNA (0.64) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL751214 0.84 HDAC2 (0.80) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL10761716 0.83 HDAC2 (0.73) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL16900376 0.83 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HDAC2HDAC8

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 2 patents. 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
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 RAB9A 3030/4885NPC1 1892/4885SMN1; SMN2 4581/4885

“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.