SCHEMBL3214599

SCHEMBL3214599

CSC(Oc1cc2cc(Br)cnc2cc1Cl)C(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.37
AAK1 Q2M2I8 2/20 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
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL3214893 0.88 AAK1 (0.37) AAK1HPGDSSCN9ACYP1A2CYP3A4
SCHEMBL3214779 0.87 AAK1 (0.33) AAK1HPGDSSCN9ACYP1A2CYP3A4
SCHEMBL3224105 0.87 MALT1 (0.38) MALT1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3227648 0.86 MALT1 (0.41) MALT1KMT2AMEN1POLBKDM4E
SCHEMBL633389 0.83 HPGDS (0.38) MALT1AAK1HPGDSSCN9ACYP1A2
SCHEMBL1926931 0.80 KDM4E (0.32) AAK1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL13078307 0.75 CYP1A2 (0.32) AAK1HPGDSCYP1A2CYP3A4CYP2C19
SCHEMBL3214890 0.74 HPGDS (0.33) HPGDSSCN9A
SCHEMBL3215001 0.74 PDGFRB (0.33) MALT1AAK1
SCHEMBL1927896 0.74 ALOX5AP (0.31) AAK1CYP1A2CYP3A4CYP2C19

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 MALT1 935/4885AAK1 4678/4885HPGDS 4806/4885

“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.