SCHEMBL304917

SCHEMBL304917

[CH2]c1ccc(OCCNC(=N)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.46
TMPRSS2 O15393 2/20 0.44
PRMT1 Q99873 3/20 0.43
F10 P00742 3/20 0.43
F2 P00734 2/20 0.43
ST14 Q9Y5Y6 2/20 0.43
PLAU P00749 1/20 0.43
PRMT5 O14744 1/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
PTP4A3 O75365 1/20 0.43
SLC22A3 O75751 1/20 0.43
PLG P00747 1/20 0.43
S100B P04271 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
AOC1 P19801 1/20 0.43

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
SCHEMBL16218949 0.83 PRSS1 (0.46) PRSS1TMPRSS2PRMT1F10F2
SCHEMBL17058979 0.83 DRD2 (0.49) PRSS1TMPRSS2PRMT1F2ST14
SCHEMBL10310260 0.83 MTNR1A (0.63) PRSS1DRD3MTNR1AMTNR1BNPC1
SCHEMBL10310294 0.82 MTNR1A (0.59) PRSS1F10F2PLGDRD3
Hydrochloric Acid SCHEMBL8207466 0.81 MTNR1A (0.57) PRSS1F10F2PLGDRD3
SCHEMBL17987779 0.80 PRSS1 (0.43) PRSS1TMPRSS2PRMT1F10F2
SCHEMBL1283675 0.79 PRSS1 (0.42) PRSS1TMPRSS2PRMT1F10F2
SCHEMBL23123551 0.78 DRD4 (0.53) PRSS1TMPRSS2PRMT1F10F2
SCHEMBL19026759 0.78 DRD3 (0.51) PRSS1TMPRSS2PRMT1F10F2
Hydrochloric Acid SCHEMBL23122363 0.77 DRD4 (0.51) PRSS1TMPRSS2PRMT1F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 US disclosed
US-8093294-B2 Bacterial infections; effective for recovering the activities of beta-lactam antibiotics; 2-ethyl-3-methylmaleic acid dimethyl ester; maleic acid derivatives and/or dihydrofuranyl derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1941873-A1 METALLO-BETA-LACTAMASE INHIBITOR MEIJI SEIKA KAISHA LTD. (JP) 2008-07-09 EP disclosed
US-20080090825-A1 Metallo-beta-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2008-04-17 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 (3 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-20080090825-A1 Metallo-beta-lactamase inhibitors ME1, MGAM, GAA PRSS1 252/4885TMPRSS2 572/4885PRMT1 1892/4885
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA PRSS1 252/4885TMPRSS2 572/4885PRMT1 1892/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA PRSS1 271/4885TMPRSS2 627/4885PRMT1 2112/4885

“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.