SCHEMBL790329

SCHEMBL790329

O=C(Nc1cccnc1)c1ccc(N2CCCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
HIF1A Q16665 1/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
MAPT P10636 3/20 0.59
TP53 P04637 1/20 0.59
GFER P55789 1/20 0.59
KCNQ3 O43525 1/20 0.59
KCNQ2 O43526 1/20 0.59
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
NAMPT P43490 5/20 0.55
CYP11B1 P15538 3/20 0.54
CYP11B2 P19099 3/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL789964 0.99 SMN1; SMN2 (0.61) LMNAHIF1AALDH1A1SMN1; SMN2NPC1
SCHEMBL12978194 0.89 SMN1; SMN2 (0.65) LMNAHIF1AALDH1A1SMN1; SMN2NPC1
SCHEMBL27696834 0.86 MCHR1 (0.60) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12509194 0.83 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2MAPTNAMPT
SCHEMBL14651869 0.81 RAB9A (0.63) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4252309 0.81 P4HTM (0.61) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13930597 0.80 P4HTM (0.60) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL12978173 0.79 KDM4E (0.71) LMNAHIF1AALDH1A1NAMPTCYP11B1
SCHEMBL2865126 0.79 RAB9A (0.60) ALDH1A1SMN1; SMN2NPC1RAB9AKCNQ3
SCHEMBL4425249 0.78 TRPV1 (0.62) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 WO disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
EP-2236505-A1 Acylated aminopyridines and pyridazines as insecticides Bayer CropScience AG (DE) 2010-10-06 EP 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 (2 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-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III CHRM1, CHRM2, GRIN2C LMNA 1364/4885HIF1A 2796/4885ALDH1A1 1153/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR LMNA 2262/4885HIF1A 4690/4885ALDH1A1 551/4885

“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.