SCHEMBL104476

SCHEMBL104476

CC(C)c1ccc(C(=O)NCc2ccc(F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.76
RAB9A P51151 3/20 0.76
MEN1 O00255 3/20 0.76
KMT2A Q03164 3/20 0.76
ALDH1A1 P00352 2/20 0.70
NPC1 O15118 2/20 0.70
LMNA P02545 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
EPHX2 P34913 1/20 0.57
PPARG P37231 1/20 0.57
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.55
CXCR4 P61073 1/20 0.54
CYP3A4 P08684 1/20 0.53
MAPK14 Q16539 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
SCHEMBL10099559 1.00 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL6077802 0.87 L3MBTL1 (0.77) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL18232439 0.85 RAB9A (0.76) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL24934740 0.85 RAB9A (0.76) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL8250757 0.85 LMNA (0.65) SMN1; SMN2RAB9AMEN1KMT2ALMNA
SCHEMBL10099556 0.84 RAB9A (0.75) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL104431 0.84 RAB9A (0.75) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
SCHEMBL8429875 0.83 LMNA (0.70) SMN1; SMN2RAB9AALDH1A1LMNAL3MBTL1
SCHEMBL19630565 0.83 EPHX2 (0.68) SMN1; SMN2LMNAL3MBTL1EPHX2PPARG
SCHEMBL10099594 0.83 LMNA (0.70) MEN1KMT2AALDH1A1LMNAL3MBTL1

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 SMN1; SMN2 4581/4885RAB9A 3030/4885MEN1 3210/4885

“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.