SCHEMBL2040562

SCHEMBL2040562

ON=Cc1cccc(-n2cncn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2A6 P11509 1/20 0.45
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CHRNA7 P36544 1/20 0.38
FBP1 P09467 1/20 0.38
GRK6 P43250 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DYRK3 O43781 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK2 Q92630 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
P2RX7 Q99572 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL2040560 1.00 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL1609841 0.81 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL1609843 0.81 KDM4E (0.64) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL31402276 0.80 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL2039106 0.80 ALDH1A1 (0.67) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL29450010 0.80 ALDH1A1 (0.67) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL11926858 0.78 CYP2A6 (0.62) KDM4ESMN1; SMN2ALDH1A1CYP2A6CHRNA7
SCHEMBL4820875 0.77 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2ALDH1A1CYP2A6HSP90AA1
SCHEMBL1609796 0.76 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1HSP90AA1MAPT
SCHEMBL1609795 0.76 ALDH1A1 (0.41) KDM4ESMN1; SMN2ALDH1A1HSP90AA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 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-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests CRY1, PIR, DDT KDM4E 576/4885SMN1; SMN2 2645/4885ALDH1A1 2327/4885

“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.