SCHEMBL789982

SCHEMBL789982

COc1cc(OC)nc(Oc2ccc(C(=O)Nc3cccnc3)cn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
GAA P10253 1/20 0.55
ALDH1A1 P00352 1/20 0.54
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
HIF1A Q16665 1/20 0.52
GALR3 O60755 1/20 0.52
MAPK1 P28482 1/20 0.52
NAMPT P43490 1/20 0.51
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 4/20 0.50
TP53 P04637 1/20 0.50
RECQL P46063 1/20 0.50
BRAF P15056 1/20 0.49
TNF P01375 1/20 0.49
NOD1 Q9Y239 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
SCHEMBL15093048 0.88 NAMPT (0.55) RAB9ALMNAKMT2APOLBGAA
SCHEMBL791143 0.87 RAB9A (0.69) RAB9ALMNAKMT2APOLBGAA
SCHEMBL12978142 0.87 RAB9A (0.70) RAB9ALMNAKMT2APOLBGAA
SCHEMBL15093433 0.86 RAB9A (0.56) RAB9ALMNAKMT2APOLBGAA
SCHEMBL790020 0.83 RAB9A (0.75) RAB9ALMNAKMT2APOLBALDH1A1
SCHEMBL790848 0.81 RAB9A (0.55) RAB9ALMNAKMT2APOLBGAA
SCHEMBL12978054 0.80 RAB9A (0.62) RAB9ALMNAKMT2APOLBALDH1A1
SCHEMBL15093569 0.80 NAMPT (0.60) RAB9ALMNAKMT2APOLBALDH1A1
SCHEMBL12978056 0.79 RAB9A (0.58) RAB9ALMNAKMT2APOLBGAA
SCHEMBL789931 0.79 NAMPT (0.68) RAB9ALMNAKMT2APOLBCXCR1

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 RAB9A 1112/4885LMNA 1364/4885KMT2A 1030/4885
US-20100305124-A1 Acylated Aminopyridine and Aminopyridazine Insecticides AAAS, DDT, QDPR RAB9A 1806/4885LMNA 2262/4885KMT2A 412/4885

“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.