SCHEMBL104759

SCHEMBL104759

CC(C)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.68
DEGS1 O15121 1/20 0.67
LMNA P02545 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TRPV1 Q8NER1 2/20 0.62
POLB P06746 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
STAT3 P40763 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
KIF11 P52732 1/20 0.59
MEN1 O00255 1/20 0.58
PSMD14 O00487 1/20 0.58
MAPT P10636 1/20 0.58
RECQL P46063 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
KMT2A Q03164 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
SAE1 Q9UBE0 1/20 0.58
UBA2 Q9UBT2 1/20 0.58

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
SCHEMBL104275 0.90 NPC1 (0.68) PTPN1LMNAKDM4ETRPV1POLB
SCHEMBL2563194 0.90 NPC1 (0.68) PTPN1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL23844169 0.88 LMNA (0.76) LMNAKDM4ETRPV1POLBSMN1; SMN2
SCHEMBL19501816 0.88 SIRT1 (0.70) PTPN1LMNAKDM4EPOLBSMN1; SMN2
SCHEMBL26915306 0.85 LMNA (0.68) LMNAKDM4ETRPV1POLBSMN1; SMN2
SCHEMBL8461727 0.85 LMNA (0.68) LMNAKDM4ETRPV1POLBSMN1; SMN2
SCHEMBL14082561 0.85 NPC1 (0.74) DEGS1LMNAKDM4ETRPV1POLB
SCHEMBL22699716 0.84 TRPV1 (0.63) PTPN1DEGS1TRPV1SMN1; SMN2MAPT
SCHEMBL27837892 0.83 LMNA (0.65) PTPN1LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL10136221 0.83 PTPN1 (0.96) PTPN1DEGS1KDM4ETRPV1POLB

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 PTPN1 1597/4885DEGS1 4690/4885LMNA 3669/4885

“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.