SCHEMBL6339239

SCHEMBL6339239

COc1cc(Cl)cnc1OCC#Cc1cc(Cl)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.39
RXRA P19793 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC6A4 P31645 3/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MELK Q14680 1/20 0.34
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
APEX1 P27695 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TNF P01375 1/20 0.32
MEN1 O00255 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
SCHEMBL6830291 0.81 MELK (0.40) GRM5RXRAGRIN1GRIN2BMELK
SCHEMBL13605791 0.78 GRM5 (0.43) GRM5KDM4EALDH1A1HPGDKMT2A
SCHEMBL6329779 0.78 CHRNB2 (0.45) RXRAGRIN1GRIN2BALDH1A1MELK
SCHEMBL6332341 0.75 GRM5 (0.42) GRM5
SCHEMBL6328488 0.74 HTT (0.41) RXRAGRIN1GRIN2BSLC6A4HPGD
SCHEMBL2432983 0.69 SMN1; SMN2 (0.47) RXRAGRIN1GRIN2BKDM4EALDH1A1
SCHEMBL6330405 0.66 CHRNB2 (0.43) ALDH1A1MELKKMT2AMAPTMEN1
SCHEMBL4738223 0.64 APP (0.46) GRM5
SCHEMBL23375370 0.64 KDM4E (0.55) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL7266190 0.62 GRM5 (0.39) GRM5GRIN2BKDM4EALDH1A1MELK

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 1 patent. 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

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-20050107437-A1 comprising pyridylalkynes used as preemergence and postemergence herbicides DDT, CHRM1, CYP4X1 GRM5 1262/4885RXRA 1346/4885GRIN1 737/4885

“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.