SCHEMBL6330405

SCHEMBL6330405

COc1cc(F)cnc1OCC#Cc1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
MELK Q14680 3/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
EGLN1 Q9GZT9 4/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
FFAR1 O14842 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 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
SCHEMBL6329779 0.88 CHRNB2 (0.45) CHRNB2CHRNA4MELKEGLN1NPC1
SCHEMBL6603575 0.84 CHRNB2 (0.44) CHRNB2CHRNA4KCNQ3KCNQ2EGLN1
SCHEMBL6830291 0.76 MELK (0.40) MELKEGLN1EGFR
SCHEMBL6332152 0.72 MAOB (0.39) POLBEGFRMEN1KMT2ACYP2B6
SCHEMBL15472079 0.69 PIK3CA (0.41) ALDH1A1L3MBTL1
SCHEMBL14486650 0.67 PDGFRB (0.46) CHRNB2CHRNA4EGLN1EGFRCYP1A2
SCHEMBL21823514 0.66 FPR2 (0.38) ALDH1A1TDP1L3MBTL1
SCHEMBL6339239 0.66 GRM5 (0.39) MELKMEN1KMT2AALDH1A1MAPT
SCHEMBL13035343 0.64 CYP2C19 (0.61) CHRNB2CHRNA4FFAR1CYP1A2CYP2E1
SCHEMBL2122632 0.63 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1

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-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
WO-2003050087-A2 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-06-19 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-20050107437-A1 comprising pyridylalkynes used as preemergence and postemergence herbicides DDT, CHRM1, CYP4X1 CHRNB2 1382/4885CHRNA4 671/4885MELK 1655/4885

“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.