SCHEMBL3594625

SCHEMBL3594625

[NH]c1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.51
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
PARP1 P09874 2/20 0.47
KIF11 P52732 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
DRD4 P21917 6/20 0.46
DRD3 P35462 6/20 0.46
DRD2 P14416 5/20 0.46
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR1A P08908 1/20 0.44
CHRM5 P08912 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL993786 0.86 MMP12 (0.65) MMP12PARP1PDE3BPDE3AALDH1A1
SCHEMBL8006749 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL29512901 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL2059233 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL304249 0.79 DRD4 (0.56) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL30053776 0.79 NR3C2 (0.57) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL30799148 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL30336661 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL1861248 0.79 NR3C2 (0.57) MMP12CYP11B1CYP11B2PARP1KIF11
SCHEMBL276741 0.79 MMP12 (0.51) MMP12CYP11B1CYP11B2PARP1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 MMP12 4142/4885CYP11B1 162/4885CYP11B2 165/4885

“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.