SCHEMBL20207671

SCHEMBL20207671

CCCNC(=N)NCCCCCCCNC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX1 P07099 7/20 0.45
ALOX15 P16050 1/20 0.42
SPHK1 Q9NYA1 4/20 0.40
SPHK2 Q9NRA0 1/20 0.35
PAOX Q6QHF9 1/20 0.35
CASP2 P42575 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL18282367 0.89 SMN1; SMN2 (0.59) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL10717990 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL5306836 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL4104862 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL1249217 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL5597191 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
Dodine SCHEMBL21643 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL8752673 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL2905602 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1
SCHEMBL30569522 0.85 MEN1 (0.55) MEN1CYP1A2KMT2ASMN1; SMN2EPHX1

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 1 patent. 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

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 MEN1 2304/4885CYP1A2 120/4885KMT2A 1862/4885

“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.