SCHEMBL1828499

SCHEMBL1828499

Cc1c(N)cccc1Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 7/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.49
HDAC6 Q9UBN7 1/20 0.48
TDP1 Q9NUW8 3/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PLA2G1B P04054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL1828840 0.81 LMNA (0.53) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL1828269 0.76 HDAC6 (0.57) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL1833879 0.74 SIGMAR1 (0.36) SMN1; SMN2MAPTALDH1A1LMNAPOLB
SCHEMBL12267532 0.73 LMNA (0.63) SMN1; SMN2MAPTALDH1A1LMNAHDAC6
SCHEMBL1829077 0.73 JAK2 (0.35) MAPTRAB9ANPC1
SCHEMBL24948886 0.70 LMNA (0.59) SMN1; SMN2MAPTALDH1A1LMNAHDAC6
SCHEMBL1830057 0.69 XPO1 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1LMNA
SCHEMBL22050729 0.69 PTGS1 (0.51) ALDH1A1LMNAL3MBTL1KDM4ENPSR1
SCHEMBL29077847 0.68 LMNA (0.56) SMN1; SMN2MAPTALDH1A1LMNAHDAC6
SCHEMBL2611120 0.67 ALDH1A1 (0.55) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
US-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative BAYER CROPSCIENCE AG (DE) 2011-07-28 US disclosed
EP-2318374-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010012442-A2 INSECTICIDAL BENZENEDICARBOXAMIDE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2010-02-04 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-20110184188-A1 Insecticidal Benzenedicarboxamide Derivative DDT, BRD9, BCL2A1 SMN1; SMN2 3421/4885MAPT 4079/4885RAB9A 405/4885

“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.