SCHEMBL5110116

SCHEMBL5110116

CCC[CH]NC(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
HDAC8 Q9BY41 2/20 0.54
MMP3 P08254 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
DEGS1 O15121 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
PTPN1 P18031 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL4723170 0.89 PLK1 (0.62) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL4722986 0.87 KDM4E (0.49) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL4721715 0.79 PLK1 (0.66) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL11298848 0.78 KDM4E (0.68) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL11584983 0.77 MMP3 (0.65) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL9312700 0.76 HPGD (0.64) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL4720645 0.76 GAA (0.53) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL2117675 0.76 PLK1 (0.66) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL11183377 0.76 MMP3 (0.62) PLK1HDAC8MMP3MEN1KMT2A
SCHEMBL1093718 0.74 TSHR (0.73) PLK1HDAC8MMP3MEN1KMT2A

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 PLK1 1177/4885HDAC8 3029/4885MMP3 3562/4885

“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.