SCHEMBL2599679

SCHEMBL2599679

Nc1cc(Cl)nc(C(=O)O)c1C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.37
CYP3A4 P08684 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC9A1 P19634 1/20 0.32
S1PR2 O95136 1/20 0.32
KMO O15229 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
LMNA P02545 1/20 0.31
GRIK1 P39086 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL2599618 0.85 TDP1 (0.36) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL12182363 0.81 KDM4E (0.45) ALDH1A1SMN1; SMN2LMNAHSD17B10MAPT
SCHEMBL116082 0.78 TDP1 (0.50) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL3218994 0.78 TDP1 (0.50) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL29390992 0.78 TDP1 (0.50) TDP1CYP3A4MEN1KMT2AALDH1A1
Potassium SCHEMBL30575490 0.77 TDP1 (0.48) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL28002634 0.77 TDP1 (0.48) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL1404403 0.77 TDP1 (0.48) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL19627732 0.77 TDP1 (0.40) TDP1CYP3A4MEN1KMT2AALDH1A1
SCHEMBL16857047 0.76 TDP1 (0.40) TDP1CYP3A4MEN1KMT2AALDH1A1

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
EP-2571852-A1 CHEMICAL COMPOUNDS Syngenta Limited (GB) 2013-03-27 EP disclosed
US-20130065757-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2013-03-14 US disclosed
WO-2011144891-A1 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-11-24 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-20130065757-A1 CHEMICAL COMPOUNDS HPD, PPOX, PIN1 TDP1 2573/4885CYP3A4 622/4885MEN1 3392/4885

“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.