SCHEMBL5111904

SCHEMBL5111904

CON=C(C)c1ccc(-c2ccccc2NC(=O)c2c(C)nn(C)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP3A4 P08684 1/20 0.40
HSD17B10 Q99714 3/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 3/20 0.38
ABCG2 Q9UNQ0 6/20 0.38
ABCB1 P08183 3/20 0.38
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM3 P20309 1/20 0.36
NR3C1 P04150 1/20 0.36

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
SCHEMBL5111902 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL14266418 0.91 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL14266421 0.91 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL14266377 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL14266424 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL14266406 0.90 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CYP3A4TSHR
SCHEMBL14266408 0.89 NR3C1 (0.39) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL14266399 0.89 CYP3A4 (0.44) KMT2ACYP3A4LMNACHRM3
SCHEMBL14266444 0.88 MEN1 (0.38) ALDH1A1KMT2AMEN1CYP3A4HSD17B10
SCHEMBL9979664 0.88 LMNA (0.45) ALDH1A1KMT2AMEN1CYP3A4MAPT

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-7348350-B2 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms BAYER CROPSCIENCE AG (DE) 2008-03-25 US disclosed
US-6992098-B2 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms BAYER CROPSCIENCE AG (DE) 2006-01-31 US disclosed
US-20050182120-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms ELBE HANS-LUDWIG (DE) 2005-08-18 US disclosed
US-20040053971-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms BAYER CROPSCIENCE AG (DE) 2004-03-18 US disclosed
EP-1313709-A1 PYRAZOLYL BIPHENYL CARBOXAMIDES Bayer CropScience AG (DE) 2003-05-28 EP disclosed
WO-2002008195-A1 PYRAZOLYL BIPHENYL CARBOXAMIDES AND THE USE THEREOF FOR CONTROLLING UNDESIRED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2002-01-31 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 (2 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-20040053971-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesired microorganisms MRPL21, Q6ZSR9, MRM1 ALDH1A1 967/4885KMT2A 1141/4885MEN1 1530/4885
US-20050182120-A1 Pyrazolyl biphenyl carboxamides and the use thereof for controlling undesirable microorganisms DDT, MRPL21, DCXR ALDH1A1 948/4885KMT2A 784/4885MEN1 1903/4885

“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.