SCHEMBL4861237

SCHEMBL4861237

CN1CCN(Cc2nc(Cl)ccc2C(=O)O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRB3 P28472 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA2 P47869 3/20 0.38
GABRB2 P47870 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
LMNA P02545 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 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
SCHEMBL14017806 0.83 SLC6A12 (0.33) LMNAGRM2SLC6A12ALDH1A1
SCHEMBL4859086 0.81 GRM2 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5383949 0.75 CYP2D6 (0.39) LMNACYP2D6CYP2C19CYP2C9KMT2A
SCHEMBL524642 0.71 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4853073 0.69 TUBB4A (0.41) LMNAKMT2APOLBGRM2KDM4E
Hydrochloric Acid SCHEMBL10515638 0.68 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8916010 0.68 POLB (0.60) LMNACYP2D6CYP2C19CYP2C9KMT2A
SCHEMBL1969600 0.66 GABRP (0.72) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20293716 0.66 P4HTM (0.48) LMNACYP2D6CYP2C19CYP2C9KMT2A
SCHEMBL2518980 0.65 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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-7439207-B2 2,6 substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2008-10-21 US disclosed
US-7439207-B2 2,6 substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2008-10-21 US disclosed
US-7439207-B2 2,6 substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2008-10-21 US disclosed
EP-1501360-A1 2,6 SUBSTITUTED PYRIDINE-3-CARBONYL DERIVATIVES SERVING AS PLANT PROTECTION AGENTS HAVING HERBICIDAL ACTION Bayer CropScience AG (DE) 2005-02-02 EP disclosed
US-20050020451-A1 2,6 Substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action BAYER CROPSCIENCE AG (DE) 2005-01-27 US disclosed
WO-2003092380-A1 2,6 SUBSTITUTED PYRIDINE-3-CARBONYL DERIVATIVES SERVING AS PLANT PROTECTION AGENTS HAVING HERBICIDAL ACTION BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-11-13 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-20050020451-A1 2,6 Substituted pyridine-3-carbonyl derivatives serving as plant protection agents having herbicidal action PDHX, PRDX6, CBR3 GABRP 2428/4885GABRD 3440/4885GABRA1 3486/4885

“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.