SCHEMBL11937397

SCHEMBL11937397

N=C(N)c1cccc(OCCOC(=O)c2ccc(OC3CCN(C(=N)N)CC3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.64
PRSS1 P07477 9/20 0.46
F2 P00734 4/20 0.45
PLG P00747 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
OPRK1 P41145 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
Trifluoroacetic Acid SCHEMBL3318113 0.94 F10 (0.60) F10PRSS1F2PLGPRSS2
SCHEMBL11937395 0.93 F10 (0.75) F10PRSS1F2
Trifluoroacetic Acid SCHEMBL3317848 0.87 F10 (0.70) F10PRSS1F2
SCHEMBL3315331 0.86 F10 (0.54) F10PRSS1F2PLGPRSS2
SCHEMBL11937387 0.86 F10 (0.51) F10PRSS1F2PLGPRSS2
SCHEMBL11937412 0.83 F10 (0.48) F10PRSS1F2PLGPRSS2
SCHEMBL11937394 0.83 F10 (0.53) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3313154 0.81 F10 (0.53) F10PRSS1F2PLGPRSS2
SCHEMBL11937381 0.80 F10 (0.59) F10PRSS1F2PLGPRSS2
Trifluoroacetic Acid SCHEMBL3318224 0.79 F10 (0.52) F10PRSS1F2PLGPRSS2

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-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 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 (2 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI F10 7/4885PRSS1 92/4885F2 6/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI F10 7/4885PRSS1 92/4885F2 6/4885

“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.