SCHEMBL2291348

SCHEMBL2291348

CC(=O)CNC(=O)c1cccc(I)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53BP1 Q12888 1/20 0.57
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
MTOR P42345 3/20 0.50
GRM5 P41594 1/20 0.49
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
F2 P00734 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KAT6A Q92794 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL24990754 0.85 TP53BP1 (0.55) TP53BP1HDAC1HDAC2MTORGRM5
SCHEMBL14725927 0.83 TP53BP1 (0.54) TP53BP1HDAC1HDAC2MTORGRM5
SCHEMBL13381540 0.83 TP53BP1 (0.60) TP53BP1HDAC1HDAC2MTORGRM5
SCHEMBL5857587 0.81 HDAC8 (0.61) GAAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL30739865 0.80 GPR139 (0.59) HDAC1GAAKMT2ASMN1; SMN2HPGD
SCHEMBL1927576 0.80 L3MBTL1 (0.69) TP53BP1HDAC1HDAC2MTORGRM5
SCHEMBL13949658 0.79 LOXL2 (0.51) GAAKMT2AHSD17B10SMN1; SMN2HPGD
SCHEMBL25976159 0.79 GAA (0.78) TP53BP1HDAC1HDAC2MTORGRM5
SCHEMBL618128 0.78 GAA (0.63) HDAC1HDAC2GAAHSD17B10SMN1; SMN2
SCHEMBL13949637 0.78 RAB9A (0.51) TP53BP1HDAC1HDAC2MTORGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163554-B1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2012-08-01 EP disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 US disclosed
US-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD (JP) 2010-07-29 US disclosed
CN-101679447-A pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO LTD 2010-03-24 CN disclosed
EP-2163554-A1 PYRIMIDODIAZEPINONE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2010-03-17 EP 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-20100190775-A1 PYRIMIDODIAZEPINONE DERIVATIVE KCNJ1, KCNJ11, ADRA1D TP53BP1 4271/4885HDAC1 120/4885HDAC2 73/4885

“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.