SCHEMBL4906582

SCHEMBL4906582

COC(=O)c1cc(Br)c(C(F)(F)Cl)[nH]c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.44
KDM4E B2RXH2 5/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
NOTUM Q6P988 2/20 0.38
MAPT P10636 4/20 0.38
CFTR P13569 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR4A2 P43354 1/20 0.34
XDH P47989 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
CHEK1 O14757 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 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
SCHEMBL4668796 0.88 SOS1 (0.49) SOS1KDM4EGLAGAANOTUM
SCHEMBL17782172 0.84 GAA (0.43) SOS1KDM4EGLAGAAMAPT
SCHEMBL4898556 0.83 CFTR (0.46) SOS1KDM4EGLAGAAMAPT
SCHEMBL3089100 0.78 CUL4A (0.38) KDM4EGAANOTUMMAPTALDH1A1
SCHEMBL17782171 0.75 HSD17B1 (0.55) SOS1KDM4EGLAGAANOTUM
SCHEMBL4907153 0.74 KDM4E (0.44) SOS1KDM4EGLAGAANOTUM
SCHEMBL22868087 0.73 ALDH1A1 (0.56) KDM4EGLAGAAMAPTALDH1A1
SCHEMBL3083066 0.73 EGLN1 (0.40) KDM4EALDH1A1KMT2A
SCHEMBL4908607 0.72 KDM4E (0.40) SOS1KDM4EGLAGAAMAPT
SCHEMBL4904432 0.72 KDM4E (0.57) KDM4EGLAGAAMAPTCFTR

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
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2008-10-30 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 (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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 SOS1 4048/4885KDM4E 740/4885GLA 1905/4885
US-20080269059-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARTION AND THEIR USE CYC1, PYCR1, CBR3 SOS1 4166/4885KDM4E 826/4885GLA 2012/4885

“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.