SCHEMBL368156

SCHEMBL368156

CNC(=O)c1ccc(-c2cccnc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
CYP2A6 P11509 9/20 0.54
CYP2C19 P33261 5/20 0.54
CYP2D6 P10635 4/20 0.54
CYP2C9 P11712 4/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 6/20 0.51
CYP2E1 P05181 3/20 0.51
CYP2B6 P20813 3/20 0.51
MAPT P10636 4/20 0.50
TP53 P04637 2/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL10146796 0.85 ALDH1A1 (0.58) NPC1MAPK1RAB9APOLBCYP2A6
SCHEMBL23091234 0.85 CYP2C19 (0.57) NPC1MAPK1RAB9APOLBCYP2A6
SCHEMBL17212160 0.84 ALDH1A1 (0.53) NPC1MAPK1RAB9APOLBCYP2A6
SCHEMBL30501715 0.83 NPC1 (0.77) NPC1MAPK1RAB9APOLBCYP2C19
SCHEMBL23091224 0.83 NPC1 (0.77) NPC1MAPK1RAB9APOLBCYP2C19
SCHEMBL27605095 0.83 CYP2A6 (0.57) NPC1MAPK1RAB9APOLBCYP2A6
SCHEMBL3418241 0.82 ALDH1A1 (0.56) NPC1MAPK1RAB9APOLBCYP2A6
SCHEMBL17424213 0.82 CYP2A6 (0.54) MKNK1MKNK2NPC1MAPK1RAB9A
SCHEMBL23091200 0.82 MAPK1 (0.67) NPC1MAPK1RAB9APOLBCYP2C19
SCHEMBL364612 0.81 ALDH1A1 (0.62) MKNK1MKNK2NPC1MAPK1RAB9A

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 11 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
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-9233951-B2 Heterocyclic compounds as pesticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-01-12 US disclosed
EP-2593447-A2 NEW HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer Intellectual Property GmbH (DE) 2013-05-22 EP 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
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
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 MKNK1 1492/4885MKNK2 1484/4885NPC1 4000/4885

“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.