SCHEMBL18296396

SCHEMBL18296396

N=C(NCCCOc1ccc(C(=N)N)cn1)NCCCOc1ccc(C(=N)N)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 1/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ PRSS1 P07477 10/20 0.42
▸ TMPRSS2 O15393 2/20 0.42
▸ PRMT1 Q99873 3/20 0.41
▸ F2 P00734 3/20 0.41
▸ ST14 Q9Y5Y6 3/20 0.41
▸ PLAU P00749 2/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ SLC22A2 O15244 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ PTP4A3 O75365 1/20 0.41
▸ SLC22A3 O75751 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ S100B P04271 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41

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
SCHEMBL20207674 0.93 F2 (0.40) FURINOPRM1OPRD1OPRK1PRSS1
SCHEMBL18282372 0.91 PRMT1 (0.43) FURINOPRM1OPRD1OPRK1PRSS1
SCHEMBL18296413 0.91 PRMT1 (0.43) FURINOPRM1OPRD1OPRK1PRSS1
SCHEMBL18296764 0.90 PRSS1 (0.57) OPRM1PRSS1TMPRSS2PRMT1F2
SCHEMBL16808323 0.85 OPRM1 (0.42) OPRM1OPRD1OPRK1PRSS1TMPRSS2
SCHEMBL16808326 0.85 PRMT1 (0.40) FURINOPRM1OPRD1OPRK1PRSS1
SCHEMBL22120216 0.84 PRMT1 (0.58) OPRM1PRSS1TMPRSS2PRMT1F2
SCHEMBL16808183 0.82 PRMT1 (0.43) OPRM1OPRD1OPRK1PRSS1TMPRSS2
SCHEMBL20036303 0.82 LSS (0.36) FURINOPRM1OPRD1OPRK1PRSS1
SCHEMBL12461767 0.81 PRSS1 (0.47) FURINOPRM1PRSS1TMPRSS2PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE NIPPON SODA CO., LTD. (JP) 2018-05-31 — — US disclosed
US-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE NIPPON SODA CO., LTD. (JP) 2018-05-31 — — US disclosed
EP-3305759-A1 GUANIDINE COMPOUND AND BACTERICIDE Nippon Soda Co., Ltd. (JP) 2018-04-11 — — EP disclosed
WO-2016195077-A1 GUANIDINE COMPOUND AND BACTERICIDE 日本曹達株式会社 2016-12-08 — — WO 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-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE GUCY1A2, GUCY1B2, GUCY1A1 FURIN 2530/4885OPRM1 3568/4885OPRD1 2174/4885

“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.

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