SCHEMBL790921

SCHEMBL790921

CN(C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1)c1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
MAPK1 P28482 2/20 0.59
GALR3 O60755 1/20 0.59
ALDH1A1 P00352 2/20 0.47
THRB P10828 1/20 0.47
LIPE Q05469 4/20 0.47
NPC1 O15118 2/20 0.46
TNF P01375 1/20 0.46
NOD1 Q9Y239 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 1/20 0.46
MLYCD O95822 1/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
NAMPT P43490 1/20 0.44
GFER P55789 1/20 0.44

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
SCHEMBL791001 0.91 RAB9A (0.58) RAB9AMAPK1GALR3LIPENPC1
SCHEMBL12978080 0.90 RAB9A (0.57) RAB9AMAPK1GALR3LIPENPC1
SCHEMBL790834 0.88 HSD17B1 (0.52) RAB9AMAPK1GALR3ALDH1A1LIPE
SCHEMBL789609 0.88 HSD17B1 (0.52) RAB9AMAPK1GALR3ALDH1A1LIPE
SCHEMBL12978085 0.87 HSD17B1 (0.54) RAB9AMAPK1GALR3ALDH1A1LIPE
SCHEMBL791674 0.87 TRPV1 (0.47) RAB9AMAPK1GALR3LIPENPC1
SCHEMBL790776 0.87 LIPE (0.54) RAB9AMAPK1GALR3LIPENPC1
SCHEMBL789979 0.87 RAB9A (0.53) RAB9AMAPK1GALR3ALDH1A1THRB
SCHEMBL791129 0.86 LIPE (0.46) RAB9AMAPK1GALR3LIPENPC1
SCHEMBL12978060 0.86 LMNA (0.51) RAB9AMAPK1GALR3ALDH1A1LIPE

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 RAB9A 1112/4885MAPK1 1896/4885GALR3 579/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885MAPK1 3434/4885GALR3 3431/4885

“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.