SCHEMBL790020

SCHEMBL790020

COc1ccc(Oc2ccc(C(=O)Nc3cccnc3)cn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.75
KMT2A Q03164 3/20 0.72
POLB P06746 1/20 0.72
NPC1 O15118 3/20 0.62
TP53 P04637 1/20 0.62
RECQL P46063 1/20 0.62
PKM P14618 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
BRAF P15056 1/20 0.60
ALDH1A1 P00352 1/20 0.60
GALR3 O60755 1/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.58
TNF P01375 1/20 0.57
NOD1 Q9Y239 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL12978054 0.92 RAB9A (0.62) RAB9AKMT2APOLBNPC1TP53
SCHEMBL789931 0.91 NAMPT (0.68) RAB9AKMT2APOLBNPC1TP53
SCHEMBL790679 0.88 CYP11B1 (0.68) RAB9AKMT2APOLBNPC1TP53
SCHEMBL791892 0.88 CYP11B1 (0.68) RAB9AKMT2APOLBNPC1TP53
SCHEMBL791143 0.88 RAB9A (0.69) RAB9AKMT2APOLBNPC1ALDH1A1
SCHEMBL789920 0.88 RAB9A (0.78) RAB9AKMT2APOLBNPC1TP53
SCHEMBL790138 0.87 RAB9A (0.62) RAB9AKMT2APOLBNPC1TP53
SCHEMBL12978206 0.87 RAB9A (0.58) RAB9AKMT2APOLBNPC1TP53
SCHEMBL30151533 0.86 RAB9A (1.00) RAB9AKMT2APOLBNPC1TP53
SCHEMBL11129936 0.86 RAB9A (1.00) RAB9AKMT2APOLBNPC1TP53

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 1112/4885KMT2A 1030/4885POLB 4137/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885KMT2A 412/4885POLB 2949/4885

“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.