SCHEMBL2408228

SCHEMBL2408228

Cc1cccc(-c2nc3ccsc3c(=O)[nH]2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ SPR P35270 4/20 0.54
▸ MAPT P10636 2/20 0.53
▸ ADORA2A P29274 1/20 0.50
▸ ADORA1 P30542 1/20 0.50
▸ PDE5A O76074 1/20 0.49
▸ TGFBR1 P36897 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ KRAS P01116 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39

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
SCHEMBL26890923 0.79 SPR (0.66) SMN1; SMN2RAB9ASPRMAPTADORA2A
SCHEMBL14150893 0.78 ADORA2A (0.41) SMN1; SMN2RAB9AADORA2AADORA1TGFBR1
SCHEMBL8267253 0.77 RAB9A (0.71) SMN1; SMN2RAB9ASPRMAPTPDE5A
SCHEMBL2913480 0.75 NPC1 (0.64) RAB9AMAPTHTTKDM4EALDH1A1
SCHEMBL13789323 0.74 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ASPRMAPTPDE5A
SCHEMBL1369682 0.74 SMN1; SMN2 (0.62) SMN1; SMN2RAB9ASPRMAPTPDE5A
SCHEMBL5396554 0.73 SMN1; SMN2 (0.59) SMN1; SMN2RAB9ASPRMAPTPDE5A
SCHEMBL24743603 0.72 PARP1 (0.62) RAB9AHTTALDH1A1L3MBTL1CCR1
SCHEMBL26158246 0.71 SPR (0.67) SMN1; SMN2RAB9ASPRMAPTPDE5A
SCHEMBL960306 0.71 MAPT (0.62) SMN1; SMN2RAB9ASPRMAPTPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 — — EP claimed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 — — US claimed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 — — WO claimed
EP-2539338-A1 NOVEL MICROBICIDES Syngenta Participations AG (CH) 2013-01-02 — — EP disclosed
US-20120316184-A1 NOVEL MICROBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-12-13 — — US disclosed
WO-2011104183-A1 NOVEL MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-09-01 — — 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-20120316184-A1 NOVEL MICROBICIDES NOX1, MSR1, FPR1 SMN1; SMN2 3707/4885RAB9A 2527/4885SPR 2751/4885

“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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