SCHEMBL3214779

SCHEMBL3214779

CSC(Oc1cc2cc(Br)cnc2cc1F)C(=O)NC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.33
HPGDS O60760 1/20 0.33
SCN9A Q15858 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL3214893 0.88 AAK1 (0.37) AAK1HPGDSSCN9ACYP1A2CYP3A4
SCHEMBL3214890 0.87 HPGDS (0.33) HPGDSSCN9APDGFRBPDGFRA
SCHEMBL3214599 0.87 MALT1 (0.37) AAK1HPGDSSCN9ACYP1A2CYP3A4
SCHEMBL3222965 0.87 PDGFRB (0.34) SMN1; SMN2PDGFRBPDGFRA
SCHEMBL3217596 0.86 PDGFRB (0.34) NPC1RAB9APDGFRBPDGFRA
SCHEMBL3227874 0.85 AAK1 (0.31) AAK1
SCHEMBL3729101 0.85 PDGFRB (0.32) HPGDSSCN9APDGFRBPDGFRA
SCHEMBL633389 0.83 HPGDS (0.38) AAK1HPGDSSCN9ACYP1A2CYP3A4
SCHEMBL3724305 0.82 PDGFRB (0.34) HPGDSPDGFRBPDGFRA
SCHEMBL3219234 0.81 PDGFRB (0.51) PDGFRBPDGFRA

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-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US disclosed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP disclosed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 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-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 AAK1 4678/4885HPGDS 4806/4885SCN9A 1443/4885

“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.