SCHEMBL5020445

SCHEMBL5020445

C/C(=N\OCCCc1cccc(-c2ccnc(C3CC3)n2)n1)c1cccc(C)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
DUSP3 P51452 1/20 0.33
PTPN11 Q06124 1/20 0.33
HSP90AA1 P07900 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
CHEK1 O14757 1/20 0.30
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL5020217 0.86 HSP90AA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5020366 0.84 CCR1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5020448 0.83 HSP90AA1 (0.34) HSP90AA1CYP4F2CYP4A11
SCHEMBL5020379 0.83 SMN1; SMN2 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5020449 0.82 MEN1 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15470601 0.82 TBXA2R (0.35) HSP90AA1CYP4F2CYP4A11
SCHEMBL5020377 0.82 HSP90AA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5020444 0.81 NPC1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5020446 0.80 PIK3CA (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15465604 0.80 GRM5 (0.34) DUSP3PTPN11HSP90AA1CYP4F2CYP4A11

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 GABRA1 4556/4885GABRG2 4427/4885GABRB3 4377/4885

“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.