SCHEMBL18296764

SCHEMBL18296764

N=C(NCCCCOc1ccc(C(=N)N)cc1)NCCCCOc1ccc(C(=N)N)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 7/20 0.57
▸ PRMT1 Q99873 3/20 0.56
▸ F2 P00734 3/20 0.56
▸ ST14 Q9Y5Y6 3/20 0.56
▸ TMPRSS2 O15393 2/20 0.56
▸ PLAU P00749 2/20 0.56
▸ PRMT5 O14744 1/20 0.56
▸ SLC22A2 O15244 1/20 0.56
▸ SLC22A1 O15245 1/20 0.56
▸ PTP4A3 O75365 1/20 0.56
▸ SLC22A3 O75751 1/20 0.56
▸ F10 P00742 1/20 0.56
▸ PLG P00747 1/20 0.56
▸ S100B P04271 1/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ CHRM4 P08173 1/20 0.56
▸ CHRM5 P08912 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ AOC1 P19801 1/20 0.56

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
SCHEMBL18296396 0.90 FURIN (0.44) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL18282372 0.89 PRMT1 (0.43) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL18296413 0.89 PRMT1 (0.43) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL22120014 0.88 PRMT1 (0.73) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL29633125 0.88 PRMT1 (0.73) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL18296612 0.88 PRSS1 (0.74) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL18296370 0.87 PRMT1 (0.75) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL20207674 0.86 F2 (0.40) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL18296490 0.84 PRSS1 (0.71) PRSS1PRMT1F2ST14TMPRSS2
SCHEMBL16808326 0.83 PRMT1 (0.40) PRSS1PRMT1F2ST14TMPRSS2

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-20180146677-A1 GUANICIDE COMPOUND AND FUNGICIDE NIPPON SODA CO., LTD. (JP) 2018-05-31 — — US 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 PRSS1 4145/4885PRMT1 18/4885F2 4057/4885

“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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