SCHEMBL5110122

SCHEMBL5110122

[CH2]CCCNC(=O)c1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
PPARG P37231 1/20 0.60
HDAC8 Q9BY41 2/20 0.56
MMP3 P08254 1/20 0.56
PLK1 P53350 1/20 0.54
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SLC6A4 P31645 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
DRD3 P35462 2/20 0.49

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
SCHEMBL4723173 0.90 HPGD (0.64) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL20734835 0.89 HPGD (0.66) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL4722989 0.87 KDM4E (0.50) HPGDPPARGHDAC1HDAC6ALDH1A1
SCHEMBL3643350 0.86 HPGD (0.62) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL17514068 0.84 HPGD (0.61) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL30301313 0.84 TSHR (0.73) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL1093718 0.84 TSHR (0.73) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL4721719 0.83 HDAC8 (0.62) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL9831671 0.83 PPARG (0.82) HPGDPPARGHDAC8MMP3PLK1
SCHEMBL14058606 0.83 TSHR (0.66) HPGDPPARGHDAC8MMP3PLK1

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 HPGD 800/4885PPARG 1458/4885HDAC8 3029/4885

“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.