SCHEMBL104957

SCHEMBL104957

CC(C)NCc1ccc(=O)[nH]c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.44
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.36
TRPV6 Q9H1D0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 1/20 0.35
PRKD1 Q15139 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NEK1 Q96PY6 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
SLC2A1 P11166 1/20 0.33

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
SCHEMBL20988117 0.82 KDM4E (0.40) PARP1GAASMN1; SMN2ALDH1A1TRPV6
SCHEMBL178440 0.79 LOXL2 (0.41) PARP1GAASMN1; SMN2ALDH1A1TRPV6
SCHEMBL19476289 0.76 PARP1 (0.39) PARP1GAASMN1; SMN2ALDH1A1TRPV6
SCHEMBL3271284 0.75 SIGMAR1 (0.48) PARP1SMN1; SMN2ALDH1A1LMNASLC2A1
SCHEMBL4827198 0.75 ALDH1A1 (0.40) GAASMN1; SMN2ALDH1A1TRPV6LMNA
SCHEMBL13772689 0.75 GAA (0.54) GAASMN1; SMN2ALDH1A1LMNAOPRM1
SCHEMBL1196047 0.73 KMT2A (0.51) GAASMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL19954179 0.73 PARP1 (0.45) PARP1SMN1; SMN2ALDH1A1TRPV6LMNA
SCHEMBL24060739 0.72 GAA (0.41) GAASMN1; SMN2ALDH1A1TRPV6HIF1A
SCHEMBL313756 0.71

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 PARP1 4540/4885GAA 4229/4885SMN1; 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.