SCHEMBL5020347

SCHEMBL5020347

C/C(=N\OCCCc1cc(C)nc(-c2cccc(C)n2)n1)c1cccc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.36
FFAR1 O14842 14/20 0.35
HSP90AA1 P07900 1/20 0.34
HKDC1 Q2TB90 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
DUSP3 P51452 1/20 0.32
PTPN11 Q06124 1/20 0.32

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
SCHEMBL5020443 0.94 HSP90AA1 (0.35) TGFBR1FFAR1HSP90AA1HKDC1CCR1
SCHEMBL5020348 0.94 TGFBR1 (0.34) TGFBR1FFAR1
SCHEMBL5020229 0.90 TGFBR1 (0.34) TGFBR1FFAR1CCR1CCR8
SCHEMBL5020366 0.88 CCR1 (0.41) HSP90AA1HKDC1CCR1CCR8DUSP3
SCHEMBL15465604 0.88 GRM5 (0.34) HSP90AA1HKDC1CCR1CCR8DUSP3
SCHEMBL5020365 0.88 CCR1 (0.35) HSP90AA1HKDC1CCR1CCR8DUSP3
SCHEMBL15465601 0.88 GRM5 (0.34) HSP90AA1HKDC1CCR1CCR8DUSP3
SCHEMBL5020221 0.88 GRM5 (0.34) HSP90AA1HKDC1CCR1CCR8DUSP3
SCHEMBL5020228 0.88 FFAR1 (0.41) TGFBR1FFAR1
SCHEMBL5020344 0.87 FFAR1 (0.34) TGFBR1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
US-20140045873-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2014-02-13 US disclosed
WO-2012062844-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-18 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-20140045873-A1 NOVEL MICROBIOCIDES MSR1, CD209, C3AR1 TGFBR1 1875/4885FFAR1 629/4885HSP90AA1 1228/4885

“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.