SCHEMBL6327423

SCHEMBL6327423

C#CCOc1ncc(Cl)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
LTA4H P09960 7/20 0.37
KCNH2 Q12809 4/20 0.37
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
APEX1 P27695 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
EGFR P00533 1/20 0.33
PGK1 P00558 1/20 0.33
CCR4 P51679 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
MGMT P16455 1/20 0.32
CCNA2 P20248 1/20 0.32

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
SCHEMBL6830938 0.82 TSHR (0.50) TSHRLMNACYP2C9APEX1SMN1; SMN2
SCHEMBL6328998 0.82 POLB (0.38) MAPK1POLBHSD17B10EGFRCDK1
SCHEMBL6328488 0.80 HTT (0.41) TSHRLMNACYP2C9APEX1SMN1; SMN2
SCHEMBL21118379 0.77 LMNA (0.42) LTA4HKCNH2TSHRLMNACYP2C9
SCHEMBL2452622 0.77 LTA4H (0.39) LTA4HKCNH2TSHRLMNACYP2C9
SCHEMBL27746583 0.74 LTA4H (0.38) LTA4HKCNH2TSHRLMNACYP2C9
SCHEMBL20204037 0.74 LTA4H (0.38) LTA4HKCNH2TSHRLMNACYP2C9
SCHEMBL246630 0.72 CYP2C9 (0.46) LTA4HKCNH2TSHRLMNACYP2C9
Clodinafop Propargyl SCHEMBL28325546 0.70 L3MBTL1 (0.57) LTA4HKCNH2TSHRLMNACYP2C9
SCHEMBL2287859 0.70 SLC6A4 (0.56) TSHRLMNAMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107437-A1 comprising pyridylalkynes used as preemergence and postemergence herbicides SYNGENTA CROP PROTECTION, INC. 2005-05-19 US disclosed
EP-1453807-A2 NOVEL HERBICIDES Syngenta Participations AG (CH) 2004-09-08 EP disclosed
US-20040102325-A1 Phenylpropynyloxypyridine herbicides SYNGENTA CROP PROTECTION, INC. 2004-05-27 US disclosed
WO-2003104206-A2 HERBICIDALLY ACTIVE HETEROCYCLYLALKYNES SYNGENTA PARTICIPATIONS AG (CH) 2003-12-18 WO disclosed
EP-1370140-A1 PHENYLPROPYNYLOXYPYRIDINE HERBICIDES Syngenta Participations AG (CH) 2003-12-17 EP disclosed
WO-2003050087-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-19 WO disclosed
WO-2002028182-A1 PHENYLPROPYNYLOXYPYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2002-04-11 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 (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-20040102325-A1 Phenylpropynyloxypyridine herbicides DDT, GSTM1, CYP4X1 P2RX3 108/4885P2RX2 156/4885LTA4H 4097/4885
US-20050107437-A1 comprising pyridylalkynes used as preemergence and postemergence herbicides DDT, CHRM1, CYP4X1 P2RX3 96/4885P2RX2 112/4885LTA4H 2373/4885

“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.