SCHEMBL6000381

SCHEMBL6000381

CN(c1ccncc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.45
CHKA P35790 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 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
SCHEMBL10569318 0.80 MAPT (0.39) CHRM5CHKAMAPTALDH1A1SMN1; SMN2
SCHEMBL2222390 0.79 CHKA (0.52) CHRM5CHKAMAPTALDH1A1SMN1; SMN2
SCHEMBL3409151 0.78 CHRM5 (0.68) CHRM5CHKAMAPTALDH1A1SMN1; SMN2
SCHEMBL951832 0.77 HDAC3 (0.40) CHKAHDAC3HDAC1HDAC2HDAC6
SCHEMBL2218837 0.76 CHKA (0.49) CHRM5CHKAMAPTSMN1; SMN2MEN1
SCHEMBL9617616 0.76 TUBB4A (0.44) HDAC3HDAC1HDAC2HDAC6MEN1
SCHEMBL6000283 0.76 GRM4 (0.48) CHRM5CHKAMAPTTAAR1MEN1
SCHEMBL10670504 0.75 ALDH1A1 (0.43) CHRM5CHKAHDAC3HDAC1HDAC2
SCHEMBL10572176 0.74 ALDH1A1 (0.44) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL13338165 0.73 CHRM5 (0.45) CHRM5CHKAMAPTSMN1; SMN2MEN1

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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 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-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C CHRM5 96/4885CHKA 407/4885HDAC3 1685/4885

“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.