SCHEMBL7077548

SCHEMBL7077548

NC(=O)c1cc(F)cc(C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.60
CES2 O00748 3/20 0.55
CES1 P23141 3/20 0.55
HCAR1 Q9BXC0 1/20 0.44
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DHODH Q02127 2/20 0.42
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN11 Q06124 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
HPGDS O60760 1/20 0.38

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
SCHEMBL259315 0.94 CES2 (0.62) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL27940624 0.91 HCAR1 (0.59) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL16953124 0.89 PARP1 (0.50) PARP1CES2CES1HCAR1CYP3A4
Thiourea SCHEMBL28876257 0.87 CES2 (0.54) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL21516794 0.85 PARP1 (0.52) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL3090976 0.85 PARP1 (0.52) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL31196365 0.85 HCAR1 (0.65) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL813450 0.85 PARP1 (0.53) PARP1CYP3A4SMN1; SMN2DHODHTSHR
SCHEMBL12607365 0.84 PARP1 (0.50) PARP1CES2CES1HCAR1CYP3A4
SCHEMBL9631667 0.84 PARP1 (0.50) PARP1CES2CES1HCAR1CYP3A4

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-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 PARP1 4345/4885CES2 195/4885CES1 488/4885

“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.