SCHEMBL5020366

SCHEMBL5020366

C/C(=N\OCCCc1cccc(-c2cccc(C)n2)n1)c1cccc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
HSP90AA1 P07900 1/20 0.39
P2RX7 Q99572 1/20 0.35
HKDC1 Q2TB90 1/20 0.34
KCNH2 Q12809 2/20 0.34
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33
METAP2 P50579 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PPARA Q07869 2/20 0.32
MEN1 O00255 1/20 0.32
OPRM1 P35372 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
SCHEMBL5020365 0.92 CCR1 (0.35) CCR1CCR8HSP90AA1P2RX7HKDC1
SCHEMBL5020219 0.91 CCR1 (0.34) CCR1CCR8HSP90AA1P2RX7HKDC1
SCHEMBL5020379 0.91 SMN1; SMN2 (0.40) CCR1CCR8HSP90AA1CYP4F2CYP4A11
SCHEMBL5020303 0.90 HSP90AA1 (0.35) CCR1CCR8HSP90AA1IRAK4
SCHEMBL10289685 0.90 CCR1 (0.33) CCR1CCR8HSP90AA1NPC1LMNA
SCHEMBL5020302 0.90 KCNH2 (0.36) CCR1CCR8HSP90AA1KCNH2IRAK4
SCHEMBL4542971 0.90 KCNH2 (0.36) CCR1CCR8HSP90AA1KCNH2IRAK4
SCHEMBL5020217 0.90 HSP90AA1 (0.34) CCR1CCR8HSP90AA1P2RX7HKDC1
SCHEMBL5020443 0.89 HSP90AA1 (0.35) CCR1CCR8HSP90AA1P2RX7HKDC1
SCHEMBL5020444 0.89 NPC1 (0.36) HSP90AA1P2RX7HKDC1KCNH2DUSP3

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 CCR1 202/4885CCR8 831/4885HSP90AA1 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.