SCHEMBL3795398

SCHEMBL3795398

CN1C(=O)C(C)(Cc2cc(F)ccc2F)N(C)C(=O)/C1=C/c1ccccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.35
PGR P06401 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BRD4 O60885 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
AR P10275 1/20 0.31
MAPK14 Q16539 1/20 0.31
DRD2 P14416 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HDAC1 Q13547 1/20 0.31
PLA2G7 Q13093 3/20 0.31
DPP4 P27487 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
SCHEMBL3795401 1.00 NPSR1 (0.35) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3026281 0.87 LMNA (0.42) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3026279 0.87 LMNA (0.42) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3795374 0.86 NPSR1 (0.37) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3795369 0.86 NPSR1 (0.37) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3803259 0.86 HDAC1 (0.34) KMT2AMEN1HDAC1DPP4
SCHEMBL3803262 0.86 HDAC1 (0.34) KMT2AMEN1HDAC1DPP4
SCHEMBL3800790 0.86 PGR (0.34) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3800792 0.86 PGR (0.34) NPSR1PGRLMNAKMT2AMEN1
SCHEMBL3792520 0.85 LMNA (0.33) NPSR1PGRLMNAKMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 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 (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-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 NPSR1 336/4885PGR 3309/4885LMNA 1633/4885

“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.