SCHEMBL789964

SCHEMBL789964

O=C(Nc1cccnc1)c1ccc(N2CCCCC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 4/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
TP53 P04637 1/20 0.61
GFER P55789 1/20 0.61
LMNA P02545 5/20 0.58
HIF1A Q16665 1/20 0.58
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
MAPK1 P28482 2/20 0.57
NAMPT P43490 4/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
USP2 O75604 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MCHR1 Q99705 1/20 0.53
CYP11B1 P15538 3/20 0.53
CYP11B2 P19099 3/20 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
SCHEMBL790329 0.99 LMNA (0.59) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL12978194 0.88 SMN1; SMN2 (0.65) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL27696834 0.87 MCHR1 (0.60) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL12509194 0.84 ALDH1A1 (0.54) SMN1; SMN2MAPTALDH1A1LMNANAMPT
SCHEMBL13930597 0.81 P4HTM (0.60) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL14651869 0.80 RAB9A (0.63) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4425249 0.80 TRPV1 (0.62) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL4252309 0.80 P4HTM (0.61) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL22235835 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MAPTALDH1A1NPC1RAB9A
SCHEMBL12978173 0.78 KDM4E (0.71) ALDH1A1LMNAHIF1ANAMPTMEN1

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
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

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 SMN1; SMN2 1928/4885MAPT 1987/4885ALDH1A1 1153/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR SMN1; SMN2 2519/4885MAPT 3480/4885ALDH1A1 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.