SCHEMBL3418232

SCHEMBL3418232

O=C(NCC1CC1)c1ccc(-c2cccnc2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
POLB P06746 2/20 0.48
NPC1 O15118 1/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.48
GSK3B P49841 1/20 0.48
KCNH2 Q12809 1/20 0.48
GABRA5 P31644 1/20 0.47
CYP2A6 P11509 3/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3418090 0.94 ALDH1A1 (0.52) ALDH1A1KDM4ELMNACHRNB2CHRNA7
SCHEMBL10146796 0.83 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL3418241 0.81 ALDH1A1 (0.56) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL3416889 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL3477617 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL10146243 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL3418205 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL17424209 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL3416944 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAPOLBNPC1
SCHEMBL17424207 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAPOLBNPC1

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-2593447-B1 3-PYRIDYL-HETEROARYLCARBOXAMIDE COMPOUNDS AS PESTICIDES BAYER IP GMBH (DE) 2016-08-17 EP disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
US-20120094837-A1 Novel Heterocyclic Compounds as Pesticides BAYER CROP SCIENCE AG (DE) 2012-04-19 US disclosed
WO-2012007500-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2012-01-19 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-20120094837-A1 Novel Heterocyclic Compounds as Pesticides DDT, PTMS, ACHE ALDH1A1 2531/4885KDM4E 1038/4885LMNA 2980/4885

“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.