SCHEMBL407056

SCHEMBL407056

CC(=O)c1c(C(C)C)nn(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 4/20 0.33
KMT2A Q03164 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
MIF P14174 2/20 0.33
PDE5A O76074 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
BLM P54132 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33

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
SCHEMBL405756 0.85 L3MBTL1 (0.37) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL406185 0.85 L3MBTL1 (0.41) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL406753 0.79 KDM4E (0.41) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL17290729 0.79 MIF (0.34) ALDH1A1CYP1A2CYP2C19KMT2ACYP2C9
SCHEMBL13784463 0.76 L3MBTL1 (0.45) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL8261357 0.75 L3MBTL1 (0.56) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL16586280 0.70 L3MBTL1 (0.37) L3MBTL1ALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL13784457 0.70 RECQL (0.33) L3MBTL1MAPK8RECQL
SCHEMBL17295183 0.69 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19KMT2ACYP2C9
SCHEMBL406709 0.69 MIF (0.33) ALDH1A1CYP1A2CYP2C19KMT2ACYP2C9

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
US-9695126-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-04 US disclosed
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
US-9398767-B2 Fungicide pyrazole carboxamides derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-07-26 US disclosed
US-8772266-B2 Fungicide pyrazole carboxamides derivates BAYER CROPSCIENCE AG (DE) 2014-07-08 US disclosed
US-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES BAYER CROPSCIENCE AG 2014-05-29 US disclosed
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2012-03-15 US 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 (3 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-20140148411-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885ALDH1A1 4202/4885CYP1A2 48/4885
US-20160297766-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATIVES CASP5, CBR3, CYP3A5 L3MBTL1 2440/4885ALDH1A1 4202/4885CYP1A2 48/4885
US-20120065164-A1 FUNGICIDE PYRAZOLE CARBOXAMIDES DERIVATES CASP5, CTRL, CBR3 L3MBTL1 1962/4885ALDH1A1 4241/4885CYP1A2 57/4885

“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.